| CAS Number | 1523521-83-6 |
| Catalog Number | AG01AF6J |
| Chemical Name | 2-chloro-5-cyano-N-(propan-2-yl)benzene-1-sulfonamide |
| IUPAC Name | 2-chloro-5-cyano-N-propan-2-ylbenzenesulfonamide |
| InChI | InChI=1S/C10H11ClN2O2S/c1-7(2)13-16(14,15)10-5-8(6-12)3-4-9(10)11/h3-5,7,13H,1-2H3 |
| InChI Key | GWFJKJOTDJIJQA-UHFFFAOYSA-N |
| MDL Number | MFCD25012787 |
| Molecular Formula | C10H11ClN2O2S |
| Molecular Weight | 258.7245 |
| SMILES | CC(NS(C1=C(Cl)C=CC(C#N)=C1)(=O)=O)C |
| Synonyms | 2-chloro-5-cyano-N-(propan-2-yl)benzene-1-sulfonamide,
1523521-83-6,
ZINC95883757,
AKOS019271724,
NE51437,
BC4950770,
EN300-152405,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.72g/mol |
| Monoisotopic Mass | 258.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number