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:21
Name:4-amino-N-[4-(dimethylamino)phenyl]benzene-1-sulfonamide
Description:Names and InChI codes were generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C14H17N3O2S/c1-17(2)13-7-5-12(6-8-13)16-20(18,19)14-9-3-11(15)4-10-14/h3-10,16H,15H2,1-2H3

Properties

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

ValueSource or prediction
9.46

experimental value

8.92

Eq9: Model for benzenesulfonamides (Training set)