80-32-0 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide

Introduction

CAS No. :	80-32-0	MDL No. :	MFCD00057371
Formula :	C10H9ClN4O2S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XOXHILFPRYWFOD-UHFFFAOYSA-N
M.W :	284.72	Pubchem ID :	6634
Synonyms :	Sulfachlorpyridazine	Chemical Name :	4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	68.56
TPSA :	106.35 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) :	-7.34 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.85
Log Po/w (XLOGP3) :	0.98
Log Po/w (WLOGP) :	2.41
Log Po/w (MLOGP) :	0.37
Log Po/w (SILICOS-IT) :	0.38
Consensus Log Po/w :	1.0

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.52
Solubility :	0.864 mg/ml ; 0.00303 mol/l
Class :	Soluble
Log S (Ali) :	-2.8
Solubility :	0.45 mg/ml ; 0.00158 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.4
Solubility :	0.0114 mg/ml ; 0.0000399 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.62

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280	UN#:	N/A
Hazard Statements:	H317	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