1.0 2016-05-22 03:38:52 UTC 2026-08-19 04:22:16 UTC Chlorthalidone SmallMolecule Chlorthalidone is an organic compound with the formula C14H11ClN2O4S and an average molecular weight of 338.77 g/mol. Chlorthalidone belongs to the isoindolines, a subclass of isoindoles and derivatives within the organic compounds. In terms of biological activity, the compound acts as an inhibitor of Carbonic anhydrase 1 (CA1) and Solute carrier family 12 member 1 (SLC12A1). The substance is found in or released from 18 recorded sources across several categories. Within healthcare, pharmaceuticals, and veterinary products, it is utilized in diuretics and gynecologicals. It is also used in food preservation for food, food processing, and cookware. Other recorded sources include electrical and electronic equipment such as electrodes, electric switches, antennas, and electrically stimulated smoking devices. In the building and construction sector, it is associated with ceilings, tents or canopies, fencing, and stairs and ramps, as well as ladders. Additionally, it is found in household cleaning and consumer products, including perfumes within detergents and soaps, tobacco pipes, cigar cigarettes, non electric simulated smoking devices, and other smoking requisites. The recorded exposure route for this compound is oral. Human Neurotoxin chlortalidone C14H11ClN2O4S 338.766 338.012805247 2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)benzene-1-sulfonamide chlorthalidone 77-36-1 NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12 InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21) JIVPVXMEBJLZRO-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Isoindoles and derivatives Isoindolines Isoindolones Alkanolamines Aminosulfonyl compounds Aryl chlorides Azacyclic compounds Benzenesulfonamides Benzenesulfonyl compounds Chlorobenzenes Hydrocarbon derivatives Isoindoles Lactams Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Organosulfonamides Secondary carboxylic acid amides Alkanolamine Aminosulfonyl compound Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Benzenesulfonamide Benzenesulfonyl group Benzenoid Carboxamide group Carboxylic acid derivative Chlorobenzene Halobenzene Hydrocarbon derivative Isoindole Isoindolone Lactam Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Secondary carboxylic acid amide Sulfonyl Aromatic heteropolycyclic compounds isoindoles monochlorobenzenes sulfonamide Detected and Not Quantified Chlorthalidone Action Pathway SMP0000122 Chlorthalidone Diuretic Action Pathway SMP0123149 Chlorthalidone Drug Metabolism Action Pathway SMP0142770 logp 1.6 logp 1.27 ALOGPS logs -3.81 ALOGPS solubility 5.28e-02 g/l ALOGPS logp 1.6 ChemAxon pka_strongest_acidic 8.58 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)benzene-1-sulfonamide ChemAxon average_mass 338.766 ChemAxon mono_mass 338.012805247 ChemAxon smiles NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12 ChemAxon formula C14H11ClN2O4S ChemAxon inchi InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21) ChemAxon inchikey JIVPVXMEBJLZRO-UHFFFAOYSA-N ChemAxon polar_surface_area 109.49 ChemAxon refractivity 81.3 ChemAxon polarizability 31.23 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727d5c3040> DB00310 2732 2631 BE0000502 BE0000267