Dichlorphenamide (CED0013226)

Record Information
Version1.0
Creation Date2016-05-22 03:39:52 UTC
Update Date2026-08-23 12:17:22 UTC
SynCED IDCED0013226
Secondary Accession Numbers
  • CHEM016667
Identification
Common NameDichlorphenamide
ClassSmall Molecule
Description
Dichlorphenamide is an organic compound with the chemical formula C6H6Cl2N2O4S2 and an average molecular weight of 305.16 g/mol. Dichlorphenamide belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. The compound is associated with 11 recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is found in miotics and antiglaucoma preparations and gynecologicals. It is also identified in food preservation within the category of food, food processing, and cookware. In household cleaning and consumer products, it appears in tobacco smoke filters, perfumes within detergents and soaps, cigar cigarettes, and other smoking requisites. Additionally, it is released from electrical and electronic equipment, specifically electrodes, electrically stimulated smoking devices, and antennas, conductors, or conductive bodies characterised by the conductive materials. The recorded exposure route for this compound is oral. At the molecular level, dichlorphenamide interacts with five recorded protein targets. It acts as an inhibitor of carbonic anhydrase 2 (CA2), carbonic anhydrase 1 (CA1), carbonic anhydrase 4 (CA4), and carbonic anhydrase 7 (CA7), as well as one other protein.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
1,3-Disulfamoyl-4,5-dichlorobenzeneChEBI
1,3-Disulfamyl-4,5-dichlorobenzeneChEBI
3,4-Dichloro-5-sulfamylbenzenesulfonamideChEBI
4,5-Dichloro-1,3-benzenedisulfonamideChEBI
4,5-Dichloro-1,3-disulfamoylbenzeneChEBI
4,5-Dichloro-benzene-1,3-disulfonic acid diamideChEBI
4,5-Dichloro-m-benzenedisulfonamideChEBI
4,5-DICHLOROBENZENE-1,3-disulfonamideChEBI
DichlofenamideChEBI
DichlorophenamideChEBI
DiclofenamidaChEBI
DiclofenamidumChEBI
DiclofenamideKegg
DaranideKegg
KeveyisKegg
1,3-Disulphamoyl-4,5-dichlorobenzeneGenerator
1,3-Disulphamyl-4,5-dichlorobenzeneGenerator
3,4-Dichloro-5-sulphamylbenzenesulphonamideGenerator
4,5-Dichloro-1,3-benzenedisulphonamideGenerator
4,5-Dichloro-1,3-disulphamoylbenzeneGenerator
4,5-Dichloro-benzene-1,3-disulfonate diamideGenerator
4,5-Dichloro-benzene-1,3-disulphonate diamideGenerator
4,5-Dichloro-benzene-1,3-disulphonic acid diamideGenerator
4,5-Dichloro-m-benzenedisulphonamideGenerator
4,5-DICHLOROBENZENE-1,3-disulphonamideGenerator
4,5-Dicholorobenzene-1,3-disulfonamideHMDB
DichlorphenamidHMDB
DiclofenamidHMDB
GlauconideHMDB
Llorens brand OF dichlorphenamideHMDB
Merck brand OF dichlorphenamideHMDB
DichlorphenamideChEBI
Chemical FormulaC6H6Cl2N2O4S2
Average Molecular Mass305.159 g/mol
Monoisotopic Mass303.915 g/mol
CAS Registry Number120-97-8
IUPAC Name4,5-dichlorobenzene-1,3-disulfonamide
Traditional Namedichlorphenamide
SMILESNS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O
InChI IdentifierInChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
InChI KeyGJQPMPFPNINLKP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzenesulfonamides
Direct ParentBenzenesulfonamides
Alternative Parents
Substituents
  • Benzenesulfonamide
  • Benzenesulfonyl group
  • 1,2-dichlorobenzene
  • Chlorobenzene
  • Halobenzene
  • Aryl chloride
  • Aryl halide
  • Organosulfonic acid amide
  • Aminosulfonyl compound
  • Sulfonyl
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Organohalogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organochloride
  • Organosulfur compound
  • Organic oxygen compound
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.4 g/LALOGPS
logP0.92ALOGPS
logP0.39ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)7.94ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area120.32 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity59.98 m³·mol⁻¹ChemAxon
Polarizability25.04 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00fr-1190000000-05ac58ca7b0d878559c9Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0009000000-96143650a7f633efcdfbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0019000000-bbe52404fad8ebabeb95Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-056r-0290000000-935d4eff121cbb4795c4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0009000000-a20a034f8bd3c1f4b339Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0049000000-f461bd5e7ade13a53282Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9030000000-9d1ed58d3493bfa5183fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0009000000-8d75050dd71415eaf9faNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0009000000-f64b00d41ed047f0fb8bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-8983000000-461cb533d39e20c65f2dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0009000000-d6c1371b615951a81592Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-1009000000-07bb3898e1276ce9800dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9000000000-2fad48a6162984208029Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
5898.0 Log mg/kg [3300:10000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
glaucomaNot AvailableNot AvailableA disorder characterized by an increase in pressure in the eyeball due to obstruction of the aqueous humor outflow. (NCI CTCAE)PMC9143817
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000316Gynecologicals?Gynecologicals encompass a range of synthetic chemicals used in the treatment of various women's health issues, including hormonal therapies, contraceptives, and antifungal agents.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000398Antiglaucoma preparations and miotics?Antiglaucoma preparations and miotics are pharmacological agents utilized to manage intraocular pressure in patients with glaucoma.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
1 pathwayPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.547
Applicability Domain
1.0
Statistical Significance
5.00e-04
Supporting Reference Compounds
372
E-value
3.89246
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.547
Applicability Domain
1.0
Statistical Significance
7.80e-04
Supporting Reference Compounds
472
E-value
6.07224
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.547
Applicability Domain
1.0
Statistical Significance
6.90e-04
Supporting Reference Compounds
407
E-value
5.3716
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)
Prediction Confidence Score
0.545
Applicability Domain
1.0
Statistical Significance
2.20e-04
Supporting Reference Compounds
64
E-value
1.71268
Click to view 3D structureAstrosclerin-3A6YCJ1Astrosclera willeyanaPredicted (SEA)
Prediction Confidence Score
0.545
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
44
E-value
0.311397
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.536
Applicability Domain
1.0
Statistical Significance
4.00e-04
Supporting Reference Compounds
242
E-value
3.11397
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.536
Applicability Domain
1.0
Statistical Significance
1.70e-04
Supporting Reference Compounds
151
E-value
1.32344
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.536
Applicability Domain
1.0
Statistical Significance
2.00e-04
Supporting Reference Compounds
193
E-value
1.55698
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.535
Applicability Domain
1.0
Statistical Significance
6.50e-04
Supporting Reference Compounds
332
E-value
5.0602
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.534
Applicability Domain
1.0
Statistical Significance
2.10e-04
Supporting Reference Compounds
172
E-value
1.63483
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.534
Applicability Domain
1.0
Statistical Significance
1.60e-04
Supporting Reference Compounds
157
E-value
1.24559
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.532
Applicability Domain
1.0
Statistical Significance
1.90e-04
Supporting Reference Compounds
165
E-value
1.47914
Click to view 3D structureDelta carbonic anhydraseQ5U9J1Conticribra weissflogiiPredicted (SEA)
Prediction Confidence Score
0.53
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
35
E-value
0.311397
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.523
Applicability Domain
1.0
Statistical Significance
8.00e-05
Supporting Reference Compounds
60
E-value
0.622794
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.523
Applicability Domain
1.0
Statistical Significance
9.00e-05
Supporting Reference Compounds
68
E-value
0.700643
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseP40881Methanosarcina thermophilaPredicted (SEA)
Prediction Confidence Score
0.52
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
22
E-value
0.155698
Click to view 3D structureCarbonate dehydrataseB2V8E3Sulfurihydrogenibium sp. (strain YO3AOP1)Predicted (SEA)
Prediction Confidence Score
0.519
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
40
E-value
0.311397
Carbonic anhydrase, alpha family structureClick to view 3D structureCarbonic anhydrase, alpha familyQ31FD6Thiomicrospira crunogenaPredicted (SEA)
Prediction Confidence Score
0.519
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
41
E-value
0.311397
Click to view 3D structureCarbonic anhydraseO24855Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.518
Applicability Domain
1.0
Statistical Significance
6.00e-05
Supporting Reference Compounds
38
E-value
0.467095
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)
Prediction Confidence Score
0.518
Applicability Domain
1.0
Statistical Significance
1.00e-04
Supporting Reference Compounds
46
E-value
0.778492
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.518
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
43
E-value
0.311397
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.518
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
41
E-value
0.311397
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.518
Applicability Domain
1.0
Statistical Significance
9.00e-05
Supporting Reference Compounds
78
E-value
0.700643
Beta-carbonic anhydrase 1 structureClick to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.518
Applicability Domain
1.0
Statistical Significance
1.70e-04
Supporting Reference Compounds
55
E-value
1.32344
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseP53615Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.515
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
34
E-value
0.311397
Concentrations
Not Available
External Links
DrugBank IDDB01144
HMDB IDHMDB0015275
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDI7A
Wikipedia LinkDichlorphenamide
Chemspider ID2930
ChEBI ID101085
PubChem Compound ID3038
Kegg Compound IDC07459
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available