1.0 2016-05-22 03:37:38 UTC 2026-08-19 09:44:17 UTC Bendroflumethiazide SmallMolecule Bendroflumethiazide is an organic compound with the formula C15H14F3N3O4S2 and an average molecular weight of 421.42 g/mol. Bendroflumethiazide belongs to the benzothiadiazines, a subclass of thiadiazines within the organic compounds. This substance is classified as an organoheterocyclic compound. The compound is associated with twelve recorded sources across several categories. Within healthcare, pharmaceuticals, and veterinary products, it is found in diuretics and gynecologicals. It is also recorded in food, food processing, and cookware, specifically in processing meats. In the category of electrical and electronic equipment, it is found in electrodes, antennas, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. Additionally, it is released from household cleaning and consumer products, including perfumes within detergents and soaps, tobacco smoke filters, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices. The recorded route of exposure for this compound is oral. At the molecular level, bendroflumethiazide interacts with six recorded protein targets. It acts as a blocker, inducer, or inhibitor of Solute carrier family 12 member 3 (SLC12A3), Carbonic anhydrase 1 (CA1), Carbonic anhydrase 2 (CA2), and Carbonic anhydrase 4 (CA4), as well as two other proteins. C15H14F3N3O4S2 421.415 421.037781946 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ⁶,2,4-benzothiadiazine-7-sulfonamide bendroflumethiazide 73-48-3 NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23) HDWIHXWEUNVBIY-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Thiadiazines Benzothiadiazines 1,2,4-benzothiadiazine-1,1-dioxides Alkyl fluorides Aminosulfonyl compounds Azacyclic compounds Benzene and substituted derivatives Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Organosulfonamides Secondary alkylarylamines 1,2,4-benzothiadiazine-1,1-dioxide Alkyl fluoride Alkyl halide Amine Aminosulfonyl compound Aromatic heteropolycyclic compound Azacycle Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organofluoride Organohalogen compound Organonitrogen compound Organopnictogen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Secondary aliphatic/aromatic amine Secondary amine Sulfonyl Aromatic heteropolycyclic compounds benzothiadiazine sulfonamide Detected and Not Quantified Bendroflumethiazide Action Pathway SMP0000090 Bendroflumethiazide Action Pathway (New) SMP0123062 Bendroflumethiazide Drug Metabolism SMP0130794 Bendroflumethiazide Drug Metabolism Action Pathway SMP0142893 logp 1.7 logp 1.83 ALOGPS logs -3.29 ALOGPS solubility 2.14e-01 g/l ALOGPS logp 1.7 ChemAxon pka_strongest_acidic 9.04 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ⁶,2,4-benzothiadiazine-7-sulfonamide ChemAxon average_mass 421.415 ChemAxon mono_mass 421.037781946 ChemAxon smiles NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F ChemAxon formula C15H14F3N3O4S2 ChemAxon inchi InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23) ChemAxon inchikey HDWIHXWEUNVBIY-UHFFFAOYSA-N ChemAxon polar_surface_area 118.36 ChemAxon refractivity 93.68 ChemAxon polarizability 36.92 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72767b24e8> DB00436 2315 2225 BE0000419 BE0000267 BE0000322 BE0000535 BE0000553 BE0000502