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:13
Name:N-(3-acetylphenyl)-4-aminobenzene-1-sulfonamide
Description:Names and InChI codes were generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C14H14N2O3S/c1-10(17)11-3-2-4-13(9-11)16-20(18,19)14-7-5-12(15)6-8-14/h2-9,16H,15H2,1H3

Properties

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

ValueSource or prediction
8.34

experimental value

8.78

Eq9: Model for benzenesulfonamides (Training set)