| CAS Number | 401909-16-8 |
| Catalog Number | AG00CLTE(AGN-PC-00QQ05) |
| Chemical Name | N-(4-Cyano-2-fluorophenyl)methanesulfonamide |
| IUPAC Name | N-(4-cyano-2-fluorophenyl)methanesulfonamide |
| InChI | InChI=1S/C8H7FN2O2S/c1-14(12,13)11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3 |
| InChI Key | KULWFZPVQBHQEN-UHFFFAOYSA-N |
| MDL Number | MFCD12913499 |
| Molecular Formula | C8H7FN2O2S |
| Molecular Weight | 214.2168 |
| SMILES | N#Cc1ccc(c(c1)F)NS(=O)(=O)C |
| Synonyms | N-(4-Cyano-2-fluorophenyl)methanesulfonamide,
401909-16-8,
Methanesulfonamide, N-(4-cyano-2-fluorophenyl)-,
C8H7FN2O2S,
SCHEMBL2005491,
DTXSID60580590,
KULWFZPVQBHQEN-UHFFFAOYSA-N,
ZINC34842463,
AKOS017560270,
DB-014848,
FT-0766163,
TL80090397,
V5761,
N-(4-cyano-2-fluorophenyl)methanesulfona-mide,
4-cyano-2-fluoro-1-methanesulfonylaminobenzene,
Methanesulfonamide,N-(4-cyano-2-fluorophenyl)-,
N-(4-cyano-2-fluoro-phenyl)-methane sulphonamide,
N-(4-CYANO-2-FLUOROPHENYL)-METHANESULFONAMIDE,
N-(4-Cyano-2-fluorophenyl)methanesulfomide,
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| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.214g/mol |
| Monoisotopic Mass | 214.021g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number