152-47-6 4-Amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide

Introduction

CAS No. :	152-47-6	MDL No. :	MFCD00437754
Formula :	C11H12N4O3S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KXRZBTAEDBELFD-UHFFFAOYSA-N
M.W :	280.30	Pubchem ID :	9047
Synonyms :	Sulfametopyrazine;AS-18908;Sulfalen	Chemical Name :	4-Amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.09
Num. rotatable bonds :	4
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	70.04
TPSA :	115.58 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) :	-7.51 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.76
Log Po/w (XLOGP3) :	0.7
Log Po/w (WLOGP) :	1.77
Log Po/w (MLOGP) :	-0.84
Log Po/w (SILICOS-IT) :	-0.24
Consensus Log Po/w :	0.43

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.22
Solubility :	1.68 mg/ml ; 0.00599 mol/l
Class :	Soluble
Log S (Ali) :	-2.7
Solubility :	0.553 mg/ml ; 0.00197 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.91
Solubility :	0.0342 mg/ml ; 0.000122 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.01

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:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine