| CAS Number | 406233-17-8 |
| Catalog Number | AG00CK4O(AGN-PC-0WCD1O) |
| Chemical Name | 4-Chloro-3-trifluoromethylbenzenesulfonamide |
| IUPAC Name | 4-chloro-3-(trifluoromethyl)benzenesulfonamide |
| InChI | InChI=1S/C7H5ClF3NO2S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H,(H2,12,13,14) |
| InChI Key | ILYYQBMUPMMTHV-UHFFFAOYSA-N |
| MDL Number | MFCD06408809 |
| Molecular Formula | C7H5ClF3NO2S |
| Molecular Weight | 259.6333 |
| SMILES | NS(C1=CC(C(F)(F)F)=C(Cl)C=C1)(=O)=O |
| Synonyms | 406233-17-8,
4-Chloro-3-trifluoromethylbenzenesulfonamide,
4-chloro-3-(trifluoromethyl)benzenesulfonamide,
4-chloro-3-(trifluoromethyl)benzene-1-sulfonamide,
AC1P50TD,
SCHEMBL2952580,
CTK6H1036,
DTXSID80429134,
ZINC7212830,
2768AE,
SBB102224,
AKOS008673157,
FS-6181,
NE39871,
C7H5ClF3NO2S,
ZINC07212830,
CID8317944,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.627g/mol |
| Monoisotopic Mass | 258.968g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number