AG003I8I

50790-30-2 | N-(3-cyanophenyl)methanesulfonamide

AG003I8I

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CAS Number	50790-30-2
Catalog Number	AG003I8I(AGN-PC-0KYRKI)
Chemical Name	N-(3-cyanophenyl)methanesulfonamide
IUPAC Name	N-(3-cyanophenyl)methanesulfonamide
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
MDL Number	MFCD00116199
Molecular Formula	C8H8N2O2S
Molecular Weight	196.2263
SMILES	N#CC1=CC=CC(=C1)NS(=O)(=O)C
Synonyms	50790-30-2, 3-(METHANESULFONYLAMINO)BENZONITRILE, N-(3-cyanophenyl)methanesulfonamide, Methanesulfonamide, N-(3-cyanophenyl)-, AC1Q4GPH, AC1MW9W5, SCHEMBL1291527, CTK1G8895, KS-00000EDX, DTXSID30395173, CNTYWEJSOJXQKO-UHFFFAOYSA-N, ZINC2161142, 5716AJ, MFCD00116199, AKOS000199865, N-(3-cyano-phenyl)-methanesulfonamide, ACN-049261, MCULE-8014207901, TRA0085974, AJ-33717, AS-31534, CJ-07816, SY003543, DB-071255, TC-307272, 3-[(methylsulfonyl)amino]benzenecarbonitrile, FT-0705747, ST51029940, EN300-26706, K-9380, AB00037678-01, MFCD00116199 (97+%), I01-10012, C8H8N2O2S, CID3696153, 55676-21-6,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.031g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.224g/mol
Monoisotopic Mass	196.031g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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