4-Amino-N-(pyridin-2-yl)benzenesulfonamide

Introduction

CAS No. :	144-83-2	MDL No. :	MFCD00038036
Formula :	C11H11N3O2S	Boiling Point :	-
Linear Structure Formula :	H2NC6H4SO2NHC5H4N	InChI Key :	GECHUMIMRBOMGK-UHFFFAOYSA-N
M.W :	249.29	Pubchem ID :	5336
Synonyms :	NSC 41791;NSC 4753;Pyriamid;Plurazol;A 499;Sulphapyridine	Chemical Name :	4-Amino-N-(pyridin-2-yl)benzenesulfonamide

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	65.76
TPSA :	93.46 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) :	-7.82 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.76
Log Po/w (XLOGP3) :	0.0
Log Po/w (WLOGP) :	2.36
Log Po/w (MLOGP) :	0.1
Log Po/w (SILICOS-IT) :	0.25
Consensus Log Po/w :	0.69

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.71
Solubility :	4.86 mg/ml ; 0.0195 mol/l
Class :	Very soluble
Log S (Ali) :	-1.51
Solubility :	7.64 mg/ml ; 0.0306 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-4.17
Solubility :	0.017 mg/ml ; 0.0000684 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.56

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

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