1.0 2016-06-03 12:54:00 UTC 2026-08-24 10:10:55 UTC 3-amino-4-methoxybenzenesulphonic acid SmallMolecule 3-amino-4-methoxybenzenesulphonic acid (C7H9NO4S) is an organic compound with an average molecular weight of 203.21 g/mol. 3-amino-4-methoxybenzenesulphonic acid belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid has been identified in one recorded source: drinking water and water supply, specifically drinking water. The recorded exposure route for this compound is oral. C7H9NO4S 203.21 203.025228948 3-amino-4-methoxybenzene-1-sulfonic acid 3-amino-4-methoxybenzenesulfonic acid 98-42-0 COC1=C(N)C=C(C=C1)S(O)(=O)=O InChI=1S/C7H9NO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11) FLIOATBXVNLPLK-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Alkyl aryl ethers Aminophenyl ethers Anisoles Benzenesulfonyl compounds Hydrocarbon derivatives Methoxyanilines Methoxybenzenes Organic oxides Organopnictogen compounds Organosulfonic acids Phenoxy compounds Primary amines Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Alkyl aryl ether Amine Aminophenyl ether Aniline or substituted anilines Anisole Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Ether Hydrocarbon derivative Methoxyaniline Methoxybenzene 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 Phenol ether Phenoxy compound Primary amine Sulfonyl Aromatic homomonocyclic compounds Detected and Not Quantified logp 0.6 logp -1.39 ALOGPS logs -1.44 ALOGPS solubility 7.32e+00 g/l ALOGPS logp -0.054 ChemAxon pka_strongest_acidic -3.5 ChemAxon pka_strongest_basic 3.26 ChemAxon iupac 3-amino-4-methoxybenzene-1-sulfonic acid ChemAxon average_mass 203.21 ChemAxon mono_mass 203.025228948 ChemAxon smiles COC1=C(N)C=C(C=C1)S(O)(=O)=O ChemAxon formula C7H9NO4S ChemAxon inchi InChI=1S/C7H9NO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11) ChemAxon inchikey FLIOATBXVNLPLK-UHFFFAOYSA-N ChemAxon polar_surface_area 89.62 ChemAxon refractivity 47.84 ChemAxon polarizability 18.61 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f723c4b3858> 66821 60185