| CAS Number | 923105-24-2 |
| Catalog Number | AG01A2NQ |
| Chemical Name | 4-cyano-N-(2-methylpropyl)benzene-1-sulfonamide |
| IUPAC Name | 4-cyano-N-(2-methylpropyl)benzenesulfonamide |
| InChI | InChI=1S/C11H14N2O2S/c1-9(2)8-13-16(14,15)11-5-3-10(7-12)4-6-11/h3-6,9,13H,8H2,1-2H3 |
| InChI Key | JEKHWMYOOYINTH-UHFFFAOYSA-N |
| MDL Number | MFCD08872093 |
| Molecular Formula | C11H14N2O2S |
| Molecular Weight | 238.3061 |
| SMILES | CC(CNS(C1=CC=C(C#N)C=C1)(=O)=O)C |
| Synonyms | 4-cyano-N-(2-methylpropyl)benzene-1-sulfonamide,
923105-24-2,
AC1P8ECF,
ZINC7375527,
AKOS000170134,
MCULE-5402735853,
NE23457,
BC658829,
4-cyano-N-(2-methylpropyl)benzenesulfonamide,
EN300-118212,
ZINC07375527,
CID8469380,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.305g/mol |
| Monoisotopic Mass | 238.078g/mol |
| Rotatable Bond Count | 4 |
| 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
Certificate of Analysis
Lot Number