4-(Methanesulfonylamino)benzonitrile - CAS 36268-67-4

Catalog:	BB022924
Product Name:	4-(Methanesulfonylamino)benzonitrile
CAS:	36268-67-4
Synonyms:	N-(4-cyanophenyl)methanesulfonamide; N-(4-cyanophenyl)methanesulfonamide

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Computed Properties

IUPAC Name:	N-(4-cyanophenyl)methanesulfonamide
Description:	4-(Methanesulfonylamino)benzonitrile (CAS# 36268-67-4) is a useful research chemical.
Molecular Weight:	196.23
Molecular Formula:	C8H8N2O2S
Canonical SMILES:	CS(=O)(=O)NC1=CC=C(C=C1)C#N
InChI:	InChI=1S/C8H8N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
InChI Key:	BRDHOCVMWSXEHI-UHFFFAOYSA-N
Boiling Point:	365.5 °C at 760 mmHg
Density:	1.36 g/cm³
MDL:	MFCD00204724
LogP:	2.08358

Publication Number	Title	Priority Date
KR-20210101636-A	1,2,4-oxadiazol derivatives compound and antiviral agent containing the same as an active ingredient	20200210
WO-2020119590-A1	3-cyanopyridine compound, pharmaceutical composition comprising same, preparation method therefor, and uses thereof.	20181211
WO-2020117832-A1	Small molecule inhibitors of the bfrb:bfd interaction	20181204
KR-20210049850-A	Antimicrobial mixture comprising at least one hydroxyphenone derivative	20180827
CN-107522641-B	Biaryl urea derivative or salt thereof, and preparation method and application thereof	20160622

PMID	Publication Date	Title	Journal
14709906	20040101	Establishment of an enzyme-linked immunosorbent assay for measurement of sotalol	Biological & pharmaceutical bulletin

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Related Functional Groups

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[2006278-12-0]
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[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
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3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	301
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9