10967/147 - QDB Compounds

QsarDB Repository

Thakur, A. QSAR study on benzenesulfonamide ionization constant: physicochemical approach using surface tension. ARKIVOC 2005, 2005, 49-58.

Compound

ID:2
Name:4-amino-N-(3-chloro-5-nitrophenyl)benzene-1-sulfonamide
Description:Names and InChI codes were generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C12H10ClN3O4S/c13-8-5-10(7-11(6-8)16(17)18)15-21(19,20)12-3-1-9(14)2-4-12/h1-7,15H,14H2

Properties

pKa: Acid dissociation constant as log(1/Ka)

ValueSource or prediction
6.92

experimental value

6.9

Eq9: Model for benzenesulfonamides (Training set)