4-Amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide

Introduction

CAS No. :	102-65-8	MDL No. :	MFCD00868569
Formula :	C10H9ClN4O2S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QKLPUVXBJHRFQZ-UHFFFAOYSA-N
M.W :	284.72	Pubchem ID :	66890
Synonyms :	Sulfachloropyrazine;Sulfalozine sodium;Sulfachlopryrazine sodium;Sulfaclozine sodium	Chemical Name :	4-Amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	68.56
TPSA :	106.35 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) :	-7.38 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.69
Log Po/w (XLOGP3) :	0.92
Log Po/w (WLOGP) :	2.41
Log Po/w (MLOGP) :	-0.44
Log Po/w (SILICOS-IT) :	0.38
Consensus Log Po/w :	0.79

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.48
Solubility :	0.942 mg/ml ; 0.00331 mol/l
Class :	Soluble
Log S (Ali) :	-2.74
Solubility :	0.519 mg/ml ; 0.00182 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.4
Solubility :	0.0114 mg/ml ; 0.0000399 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.77

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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