4-Chloro-N-(propylcarbamoyl)benzenesulfonamide

Introduction

CAS No. :	94-20-2	MDL No. :	MFCD00079004
Formula :	C10H13ClN2O3S	Boiling Point :	-
Linear Structure Formula :	ClC6H4SO2NHCONHCH2CH2CH3	InChI Key :	RKWGIWYCVPQPMF-UHFFFAOYSA-N
M.W :	276.74	Pubchem ID :	2727
Synonyms :	NSC 44634;NSC 626720;Pfizer Brand of Chlorpropamide;Insogen;Glucamide;Farmasierra Brand of Chlorpropamide;Clorpropamid;Byk Gulden Brand of Chlorpropamide;Apotex Brand of Chlorpropamide;Apo-Chlorpropamide;Meldian;Chlorpropamid;Diabinese;Chloropropamide	Chemical Name :	4-Chloro-N-(propylcarbamoyl)benzenesulfonamide

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.3
Num. rotatable bonds :	6
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	65.16
TPSA :	83.65 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.38 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.28
Log Po/w (XLOGP3) :	2.27
Log Po/w (WLOGP) :	2.82
Log Po/w (MLOGP) :	1.2
Log Po/w (SILICOS-IT) :	0.86
Consensus Log Po/w :	1.68

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.85
Solubility :	0.39 mg/ml ; 0.00141 mol/l
Class :	Soluble
Log S (Ali) :	-3.66
Solubility :	0.0601 mg/ml ; 0.000217 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.19
Solubility :	0.018 mg/ml ; 0.0000652 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.37

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P201-P202-P264-P270-P280-P301+P312+P330-P308+P313-P405-P501	UN#:	N/A
Hazard Statements:	H302-H361	Packing Group:	N/A
GHS Pictogram:

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