| CAS Number | 1378306-70-7 |
| Catalog Number | AG01BD2A |
| Chemical Name | 2-chloro-N-(propan-2-yl)-5-(trifluoromethyl)benzene-1-sulfonamide |
| IUPAC Name | 2-chloro-N-propan-2-yl-5-(trifluoromethyl)benzenesulfonamide |
| InChI | InChI=1S/C10H11ClF3NO2S/c1-6(2)15-18(16,17)9-5-7(10(12,13)14)3-4-8(9)11/h3-6,15H,1-2H3 |
| InChI Key | GBKBIDBAMJWRTE-UHFFFAOYSA-N |
| MDL Number | MFCD20538853 |
| Molecular Formula | C10H11ClF3NO2S |
| Molecular Weight | 301.7130 |
| SMILES | CC(NS(C1=C(Cl)C=CC(C(F)(F)F)=C1)(=O)=O)C |
| Synonyms | 2-chloro-N-(propan-2-yl)-5-(trifluoromethyl)benzene-1-sulfonamide,
1378306-70-7,
AC1P5Q82,
ZINC7305925,
AKOS008939347,
NE41740,
2-chloro-N-propan-2-yl-5-(trifluoromethyl)benzenesulfonamide,
ZINC07305925,
CID8403060,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.708g/mol |
| Monoisotopic Mass | 301.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number