160982-10-5|3-Acetyl-5-chlorothiophene-2-sulfonamide

Introduction

CAS No. :	160982-10-5	MDL No. :	MFCD09033309
Formula :	C6H6ClNO3S2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	ODLFFSHLXVZFPY-UHFFFAOYSA-N
M.W :	239.70	Pubchem ID :	15294528
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.17
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	50.52
TPSA :	113.85 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.95 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.55
Log Po/w (XLOGP3) :	1.15
Log Po/w (WLOGP) :	2.33
Log Po/w (MLOGP) :	-0.38
Log Po/w (SILICOS-IT) :	1.71
Consensus Log Po/w :	1.07

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.2
Solubility :	1.5 mg/ml ; 0.00626 mol/l
Class :	Soluble
Log S (Ali) :	-3.14
Solubility :	0.175 mg/ml ; 0.000732 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.19
Solubility :	1.54 mg/ml ; 0.00643 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.92

Signal Word:	Warning	Class:
Precautionary Statements:	P305+P351+P338	UN#:
Hazard Statements:	H315-H319	Packing Group:
GHS Pictogram:

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