1.0 2016-06-03 12:30:14 UTC 2026-08-24 07:43:46 UTC 4-sulphoanthranilic acid SmallMolecule 4-sulphoanthranilic acid is an organic compound with the formula C7H7NO5S and an average molecular weight of 217.20 g/mol. 4-sulphoanthranilic acid belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound is identified as being found in or released from drinking water and water supply, specifically drinking water. The recorded exposure route for this substance is oral. C7H7NO5S 217.2 217.004493503 98-43-1 NC1=C(C=CC(=C1)S(O)(=O)=O)C(O)=O InChI=1S/C7H7NO5S/c8-6-3-4(14(11,12)13)1-2-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13) GRGSHONWRKRWGP-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives 4-sulfobenzoic acids 1-sulfo,2-unsubstituted aromatic compounds Amino acids Aminobenzoic acids Aniline and substituted anilines Benzenesulfonyl compounds Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Organosulfonic acids Primary amines Sulfonyls Vinylogous amides 1-sulfo,2-unsubstituted aromatic compound 4-sulfobenzoic acid Amine Amino acid Amino acid or derivatives Aminobenzoic acid Aminobenzoic acid or derivatives Aniline or substituted anilines Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonyl group Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Primary amine Sulfonyl Vinylogous amide Aromatic homomonocyclic compounds Detected and Not Quantified logp 0.8 average_mass 217.2 ChemAxon mono_mass 217.004493503 ChemAxon smiles NC1=C(C=CC(=C1)S(O)(=O)=O)C(O)=O ChemAxon formula C7H7NO5S ChemAxon inchi InChI=1S/C7H7NO5S/c8-6-3-4(14(11,12)13)1-2-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13) ChemAxon inchikey GRGSHONWRKRWGP-UHFFFAOYSA-N ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72233071d0> 66822 60186