Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide

Introduction

CAS No. :	23307-72-4	MDL No. :	MFCD06798154
Formula :	C10H8ClN4NaO2S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NIUFFODHMKLSCH-UHFFFAOYSA-N
M.W :	306.70	Pubchem ID :	42623021
Synonyms :	Sulfachloropyrazine sodium;Sulfaclozine (sodium salt);Sulphachloropyrazine;Sulfachloropyrazine	Chemical Name :	Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	5.0
Num. H-bond donors :	1.0
Molar Refractivity :	68.14
TPSA :	94.32 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.52 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-5.73
Log Po/w (XLOGP3) :	0.92
Log Po/w (WLOGP) :	3.2
Log Po/w (MLOGP) :	0.37
Log Po/w (SILICOS-IT) :	0.38
Consensus Log Po/w :	-0.17

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.59
Solubility :	0.787 mg/ml ; 0.00257 mol/l
Class :	Soluble
Log S (Ali) :	-2.49
Solubility :	1.0 mg/ml ; 0.00326 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.4
Solubility :	0.0122 mg/ml ; 0.0000399 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.78

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:

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