1.0 2016-05-22 03:44:57 UTC 2026-08-19 18:29:03 UTC Phthalylsulfathiazole SmallMolecule Phthalylsulfathiazole (C17H13N3O5S2) is an organic compound with an average molecular weight of 403.43 g/mol. Phthalylsulfathiazole belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. In terms of biological activity, it is recorded as an inhibitor of the protein target dihydropteroate synthase (folP). The compound has been identified in or released from 23 recorded sources across multiple sectors. These include drinking water and water supply sources such as tap water, bottled water, desalinated water, and drinking water. It is also found in aquatic systems and sediments, specifically in groundwater, surface water, seawater, and freshwater. Within wastewater, sanitation, and biosolids, the compound is present in wastewater, unspecified wastewater, industrial wastewater, mine wastewater, and wastewater treatment effluent. Additional sources include appliances, HVAC, and refrigerants, such as water heaters and water coolers. It has also been detected in marine, shipping, and aquaculture environments in bilge water and ballast water, as well as in electrical and electronic equipment, including hybrid capacitors and electrodes, and five more sectors. Recorded routes of exposure for phthalylsulfathiazole include oral, inhalation, and touch. PMT C17H13N3O5S2 403.43 403.029662879 2-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid phthalylsulphathiazole 85-73-4 OC(=O)C1=CC=CC=C1C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1 InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23) PBMSWVPMRUJMPE-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Anilides Benzanilides Aminosulfonyl compounds Azacyclic compounds Benzamides Benzenesulfonamides Benzenesulfonyl compounds Benzoic acids Benzoyl derivatives Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organosulfonamides Secondary carboxylic acid amides Thiazoles Aminosulfonyl compound Aromatic heteromonocyclic compound Azacycle Azole Benzamide Benzanilide Benzenesulfonamide Benzenesulfonyl group Benzoic acid Benzoic acid or derivatives Benzoyl Carboxamide group Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Secondary carboxylic acid amide Sulfonyl Thiazole Aromatic heteromonocyclic compounds 1,3-thiazole dicarboxylic acid monoamide sulfonamide Detected and Not Quantified Phthalylsulfathiazole Drug Metabolism Action Pathway SMP0144952 logp 2.55 logp 2.22 ALOGPS logs -4.37 ALOGPS solubility 1.71e-02 g/l ALOGPS logp 2.55 ChemAxon pka_strongest_acidic 2.91 ChemAxon pka_strongest_basic 0.59 ChemAxon iupac 2-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid ChemAxon average_mass 403.43 ChemAxon mono_mass 403.029662879 ChemAxon smiles OC(=O)C1=CC=CC=C1C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1 ChemAxon formula C17H13N3O5S2 ChemAxon inchi InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23) ChemAxon inchikey PBMSWVPMRUJMPE-UHFFFAOYSA-N ChemAxon polar_surface_area 125.46 ChemAxon refractivity 100.36 ChemAxon polarizability 37.83 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf8134300> DB13248 4806 4641 BE0003133