3-(Methanesulfonylamino)benzonitrile - CAS 50790-30-2

Catalog:	BB027216
Product Name:	3-(Methanesulfonylamino)benzonitrile
CAS:	50790-30-2
Synonyms:	N-(3-cyanophenyl)methanesulfonamide; N-(3-cyanophenyl)methanesulfonamide

Technical Data

Patents

Computed Properties

IUPAC Name:	N-(3-cyanophenyl)methanesulfonamide
Description:	3-(Methanesulfonylamino)benzonitrile (CAS# 50790-30-2) is a useful research chemical.
Molecular Weight:	196.23
Molecular Formula:	C8H8N2O2S
Canonical SMILES:	CS(=O)(=O)NC1=CC=CC(=C1)C#N
InChI:	InChI=1S/C8H8N2O2S/c1-13(11,12)10-8-4-2-3-7(5-8)6-9/h2-5,10H,1H3
InChI Key:	CNTYWEJSOJXQKO-UHFFFAOYSA-N
Boiling Point:	343 °C at 760 mmHg
Density:	1.36 g/cm³
LogP:	2.08358

Publication Number	Title	Priority Date
US-2020038513-A1	Modulators of fak proteolysis and associated methods of use	20180726
WO-2020023851-A1	Bifunctional substitued pyrimidines as modulators of fak proteolyse	20180726
WO-2017153527-A1	Novel inhibitors of phosphatidylinositol 3-kinase gamma	20160310
WO-2015078949-A1	Compounds, pharmaceutical composition and methods for use in treating inflammatory diseases	20131127
JP-2015078127-A	N-substituted pyrazole derivatives	20120125

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Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.03064868
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.03064868
Rotatable Bond Count:	2
Topological Polar Surface Area:	78.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8