(n-sulfamoylanilino)benzene (CED0177075)

Record Information
Version1.0
Creation Date2026-08-18 16:37:22 UTC
Update Date2026-08-18 16:37:22 UTC
SynCED IDCED0177075
Secondary Accession Numbers
  • CHEM163796
Identification
Common Name(n-sulfamoylanilino)benzene
ClassSmall Molecule
Description
(n-sulfamoylanilino)benzene belongs to the sulfanilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C12H12N2O2S and an average molecular weight of 248.30 g/mol. It has been identified as being found in or released from one recorded source: electrical and electronic equipment, specifically thin magnetic films.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC12H12N2O2S
Average Molecular Mass248.300 g/mol
Monoisotopic Mass248.062 g/mol
CAS Registry Number55680-27-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C12H12N2O2S/c13-17(15,16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,13,15,16)
InChI KeyJNRIMGJUBFEWOW-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
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 PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2680.0 Log mg/kg [1500:4800]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
Exposure Sources
Source IDSourceSectorReference
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
CEDs000538Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.Electrical & Electronic EquipmentPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.458
Statistical Significance
0.012
Supporting Reference Compounds
472
E-value
93.1077
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.458
Statistical Significance
0.0104
Supporting Reference Compounds
407
E-value
80.6518
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.458
Statistical Significance
0.0076
Supporting Reference Compounds
242
E-value
59.5547
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.379
Statistical Significance
0.0129
Supporting Reference Compounds
372
E-value
100.503
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.458
Statistical Significance
0.0066
Supporting Reference Compounds
193
E-value
51.3805
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.458
Statistical Significance
0.0049
Supporting Reference Compounds
151
E-value
38.224
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.375
Statistical Significance
0.0143
Supporting Reference Compounds
332
E-value
111.402
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00921Bos taurusPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.458
Statistical Significance
0.002
Supporting Reference Compounds
22
E-value
15.5698
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.458
Statistical Significance
0.0034
Supporting Reference Compounds
68
E-value
26.3909
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.458
Statistical Significance
0.0032
Supporting Reference Compounds
60
E-value
24.6782
Carbonic anhydrase 13 structureClick to view 3D structureCarbonic anhydrase 13Q8N1Q1HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.458
Statistical Significance
0.0036
Supporting Reference Compounds
92
E-value
27.9479
Beta-carbonic anhydrase 1 structureClick to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.375
Statistical Significance
0.0046
Supporting Reference Compounds
55
E-value
35.6549
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.379
Statistical Significance
0.0114
Supporting Reference Compounds
165
E-value
88.4367
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.357
Statistical Significance
0.0059
Supporting Reference Compounds
78
E-value
45.8532
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.357
Statistical Significance
0.0099
Supporting Reference Compounds
157
E-value
76.7593
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.357
Statistical Significance
0.0078
Supporting Reference Compounds
64
E-value
60.8002
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.357
Statistical Significance
0.013
Supporting Reference Compounds
172
E-value
101.204
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.357
Statistical Significance
0.0063
Supporting Reference Compounds
46
E-value
48.8893
Click to view 3D structureCarbonate dehydrataseB2V8E3Sulfurihydrogenibium sp. (strain YO3AOP1)Predicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.357
Statistical Significance
0.004
Supporting Reference Compounds
40
E-value
31.4511
Click to view 3D structureAstrosclerin-3A6YCJ1Astrosclera willeyanaPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.357
Statistical Significance
0.0043
Supporting Reference Compounds
44
E-value
33.553
Click to view 3D structureCarbonic anhydraseO24855Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.357
Statistical Significance
0.0042
Supporting Reference Compounds
38
E-value
32.3853
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.357
Statistical Significance
0.004
Supporting Reference Compounds
43
E-value
30.8283
Carbonic anhydrase, alpha family structureClick to view 3D structureCarbonic anhydrase, alpha familyQ31FD6Thiomicrospira crunogenaPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.357
Statistical Significance
0.004
Supporting Reference Compounds
41
E-value
31.4511
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.357
Statistical Significance
0.004
Supporting Reference Compounds
41
E-value
30.8283
Click to view 3D structurePROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)P96878Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.375
Statistical Significance
0.0062
Supporting Reference Compounds
38
E-value
48.5001
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available