| CAS Number | 56236-82-9 |
| Catalog Number | AG019MYJ(AGN-PC-0NKMDV) |
| Chemical Name | 4-Cyano-N-methylbenzene-1-sulfonamide |
| IUPAC Name | 4-cyano-N-methylbenzenesulfonamide |
| InChI | InChI=1S/C8H8N2O2S/c1-10-13(11,12)8-4-2-7(6-9)3-5-8/h2-5,10H,1H3 |
| InChI Key | MLRQHFCCAKIMIK-UHFFFAOYSA-N |
| MDL Number | MFCD08869212 |
| Molecular Formula | C8H8N2O2S |
| Molecular Weight | 196.2263 |
| SMILES | C(#N)C1=CC=C(C=C1)S(=O)(=O)NC |
| Synonyms | 4-cyano-N-methylbenzenesulfonamide,
56236-82-9,
4-cyano-N-methylbenzene-1-sulfonamide,
AC1Q41D3,
SCHEMBL4613144,
CTK6I5777,
MLRQHFCCAKIMIK-UHFFFAOYSA-N,
ZINC10215391,
AKOS000189405,
MCULE-5149146452,
NE61283,
Benzonitrile, 4-[(methylamino)sulfonyl]-,
EN300-38943,
N-methyl-4-cyanobenzenesulfonamide,
|
| Complexity | 301 |
| 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 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number