1-(4-Hydrazinylphenyl)-N-methylmethanesulfonamide hydrochloride

Introduction

CAS No. :	88933-16-8	MDL No. :	MFCD08061385
Formula :	C8H14ClN3O2S	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	WZZPGBAXFSIKJJ-UHFFFAOYSA-N
M.W :	251.73	Pubchem ID :	14234263
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.25
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	62.15
TPSA :	92.6 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) :	-7.22 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.86
Log Po/w (WLOGP) :	1.56
Log Po/w (MLOGP) :	0.42
Log Po/w (SILICOS-IT) :	-0.79
Consensus Log Po/w :	0.41

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.97
Solubility :	2.67 mg/ml ; 0.0106 mol/l
Class :	Very soluble
Log S (Ali) :	-2.39
Solubility :	1.03 mg/ml ; 0.00409 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.87
Solubility :	0.343 mg/ml ; 0.00136 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.36

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

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