Cyclopropanesulfonamide

Introduction

CAS No. :	154350-29-5	MDL No. :	MFCD08705286
Formula :	C3H7NO2S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WMSPXQIQBQAWLL-UHFFFAOYSA-N
M.W :	121.16	Pubchem ID :	15765418
Synonyms :

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	26.09
TPSA :	68.54 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) :	-7.41 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.04
Log Po/w (XLOGP3) :	-0.52
Log Po/w (WLOGP) :	0.46
Log Po/w (MLOGP) :	-1.35
Log Po/w (SILICOS-IT) :	-0.55
Consensus Log Po/w :	-0.38

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.2
Solubility :	76.9 mg/ml ; 0.634 mol/l
Class :	Very soluble
Log S (Ali) :	-0.45
Solubility :	42.9 mg/ml ; 0.354 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.0
Solubility :	122.0 mg/ml ; 1.0 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.42

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

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