Sulfamethoxypyridazine (CED0011107)

Record Information
Version1.0
Creation Date2016-05-22 03:46:23 UTC
Update Date2026-08-18 09:04:29 UTC
Accession NumberCHEM016884
Identification
Common NameSulfamethoxypyridazine
ClassSmall Molecule
Description
Sulfamethoxypyridazine is an organic compound with the formula C11H12N4O3S and an average molecular weight of 280.30 g/mol. Sulfamethoxypyridazine belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This substance is found in or released from 17 recorded sources across several categories. In the healthcare, pharmaceuticals, and veterinary products sector, it is used as antibiotics. Within food, food processing, and cookware, it is associated with food preservation and processing meats. In household cleaning and consumer products, it is linked to soap detergents, pipe accessories, and tobacco smoke filters. It is also found in building and construction materials, including roofs, fencing, and stairs and ramps. Additionally, it is present in electrical and electronic equipment, specifically antennas, colour television systems, electric switches, electrically stimulated smoking devices, conductors or conductive bodies characterised by the conductive materials, and three other sources. Recorded exposure routes for this compound include oral and inhalation.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
3-(4-Aminobenzenesulfonamido)-6-methoxypyridazineChEBI
3-(p-Aminobenzenesulfamido)-6-methoxypyridazineChEBI
3-Methoxy-6-sulfanylamidopyridazineChEBI
3-p-Aminobenzenesulphonamido-6-methoxypyridazineChEBI
3-Sulfa-6-methoxypyridazineChEBI
3-Sulfanilamide-6-methoxypyridazineChEBI
3-Sulfanilamido-6-methoxypyridazineChEBI
4-Amino-N-(6-methoxy-3-pyridazinyl)-benzenesulfonamideChEBI
6-Methoxy-3-pyridazinylsulfanilamideChEBI
6-Methoxy-3-sulfanilamidopyridazineChEBI
6-Sulfanilamido-3-methoxypyridazineChEBI
N(1)-(6-Methoxy-3-pyridazinyl)sulfanilamideChEBI
SolfametossipiridazinaChEBI
SulfamethoxipyridazineChEBI
SulfamethoxypyridazinumChEBI
SulfametoxipiridazinaChEBI
SulfametoxipiridazineChEBI
SulphamethoxypyridazineChEBI
LederkynKegg
3-(4-Aminobenzenesulphonamido)-6-methoxypyridazineGenerator
3-(p-Aminobenzenesulphamido)-6-methoxypyridazineGenerator
3-Methoxy-6-sulphanylamidopyridazineGenerator
3-p-Aminobenzenesulfonamido-6-methoxypyridazineGenerator
3-Sulpha-6-methoxypyridazineGenerator
3-Sulphanilamide-6-methoxypyridazineGenerator
3-Sulphanilamido-6-methoxypyridazineGenerator
4-Amino-N-(6-methoxy-3-pyridazinyl)-benzenesulphonamideGenerator
6-Methoxy-3-pyridazinylsulphanilamideGenerator
6-Methoxy-3-sulphanilamidopyridazineGenerator
6-Sulphanilamido-3-methoxypyridazineGenerator
N(1)-(6-Methoxy-3-pyridazinyl)sulphanilamideGenerator
SulphamethoxipyridazineGenerator
SulphamethoxypyridazinumGenerator
SulphametoxipiridazinaGenerator
SulphametoxipiridazineGenerator
4-amino-N-(6-Methoxypyridazin-3-yl)benzenesulphonamideGenerator
SulfamethoxypyridazineGenerator
SulfapyridazineMeSH
Chemical FormulaC11H12N4O3S
Average Molecular Mass280.300 g/mol
Monoisotopic Mass280.063 g/mol
CAS Registry Number80-35-3
IUPAC Name4-amino-N-(6-methoxypyridazin-3-yl)benzene-1-sulfonamide
Traditional Namelongin
SMILESCOC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)C=C1
InChI IdentifierInChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
InChI KeyVLYWMPOKSSWJAL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzenesulfonamides
Direct ParentAminobenzenesulfonamides
Alternative Parents
Substituents
  • Aminobenzenesulfonamide
  • Benzenesulfonyl group
  • Aniline or substituted anilines
  • Alkyl aryl ether
  • Pyridazine
  • Organosulfonic acid amide
  • Imidolactam
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Sulfonyl
  • Aminosulfonyl compound
  • Heteroaromatic compound
  • Organoheterocyclic compound
  • Ether
  • Azacycle
  • Organic oxygen compound
  • Organic oxide
  • Amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Primary amine
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic 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 Solubility0.32 g/LALOGPS
logP0.51ALOGPS
logP0.47ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)6.84ChemAxon
pKa (Strongest Basic)2.02ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area107.2 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity72.39 m³·mol⁻¹ChemAxon
Polarizability26.19 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0aec-6940000000-16d78928677430e7e31bNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0090000000-eef21c4c7e87b8d3f6d1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0950000000-3e423833b7efb52fb59aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a6r-0910000000-96aacb4b1d0f1ebb5e4cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00b9-0900000000-f9f655290669578f70fcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00fr-0900000000-244cee97931e8b8bbbe8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00b9-0900000000-f9f655290669578f70fcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00fr-0900000000-244cee97931e8b8bbbe8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0940000000-1704202f6287ce58e8b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0090000000-f882166267dd2973b4a0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a6r-0910000000-96aacb4b1d0f1ebb5e4cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00b9-0900000000-f423fae0495ac37e5fecNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0290000000-f148419f203227d8496bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-1930000000-6557e27c325e12c7a490Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00os-9200000000-481af32883943cc6437eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0090000000-77bf48b4a7d901427e81Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0zfr-2590000000-eca9f59c3d695d1d9156Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-9520000000-0fad17b05a59c617ab58Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2314.0Log mg/kg[1300:4100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
233BrushesPersonal care & cosmeticsNot Available
306AntibioticsHealthcare, pharmaceuticals & veterinary productsNot Available
496FencingBuilding & ConstructionNot Available
499RoofsBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
509Colour Television SystemsElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
545Food PreservationFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
620Card GamesRecreation & sports surfacesNot Available
630ToysRecreation & sports surfacesNot Available
632ApparelTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)19.2288
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)76.5258
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)59.3211
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)69.4415
Click to view 3D structureAGAP002992-PAQ5TU56Anopheles gambiaePredicted (SEA)4.51525
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)9.88685
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)28.3371
Click to view 3D structureCarbonic anhydraseO24855Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)13.5458
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)86.1791
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)127.984
Click to view 3D structureDelta carbonic anhydraseQ5U9J1Conticribra weissflogiiPredicted (SEA)10.5875
Click to view 3D structureCarbonate dehydrataseB2V8E3Sulfurihydrogenibium sp. (strain YO3AOP1)Predicted (SEA)13.7015
Click to view 3D structureAstrosclerin-3A6YCJ1Astrosclera willeyanaPredicted (SEA)14.9471
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)21.175
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)12.923
Click to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)15.8812
Click to view 3D structureCarbonic anhydrase, alpha familyQ31FD6Thiomicrospira crunogenaPredicted (SEA)13.7015
Click to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)18.8395
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)12.923
Click to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)20.7857
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)39.236
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)61.3452
Click to view 3D structureCarbonic anhydraseP53615Saccharomyces cerevisiae S288cPredicted (SEA)15.5698
Click to view 3D structureCarbonic anhydrase 2P9WPJ9Mycobacterium tuberculosisPredicted (SEA)4.98235
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)64.6149
Concentrations
Not Available
External Links
DrugBank IDDB13773
HMDB IDHMDB0258575
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSulfamethoxypyridazine
Chemspider ID5139
ChEBI ID102516
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=11431418
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=13363378
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=13488278
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=13521763
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=13559967
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=13583950
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=13615757
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=13635077
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=23183348
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=6864729
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=7486915