| CAS Number | 923105-87-7 |
| Catalog Number | AG00IH2R(AGN-PC-0WRA95) |
| Chemical Name | 1-(4-Cyanophenyl)-N-(2-methylpropyl)methanesulfonamide |
| IUPAC Name | 1-(4-cyanophenyl)-N-(2-methylpropyl)methanesulfonamide |
| InChI | InChI=1S/C12H16N2O2S/c1-10(2)8-14-17(15,16)9-12-5-3-11(7-13)4-6-12/h3-6,10,14H,8-9H2,1-2H3 |
| InChI Key | IIQWLLCFERIRLN-UHFFFAOYSA-N |
| MDL Number | MFCD08869487 |
| Molecular Formula | C12H16N2O2S |
| Molecular Weight | 252.3326 |
| SMILES | CC(CNS(=O)(=O)Cc1ccc(cc1)C#N)C |
| Synonyms | 1-(4-cyanophenyl)-N-(2-methylpropyl)methanesulfonamide,
923105-87-7,
ZINC9460412,
AKOS009084256,
MCULE-6412906912,
Z165166516,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.332g/mol |
| Monoisotopic Mass | 252.093g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number