| CAS Number | 951625-11-9 |
| Catalog Number | AG00IISA(AGN-PC-0WBR6D) |
| Chemical Name | 2,5-Bis(trifluoromethyl)benzenesulfonamide |
| IUPAC Name | 2,5-bis(trifluoromethyl)benzenesulfonamide |
| InChI | InChI=1S/C8H5F6NO2S/c9-7(10,11)4-1-2-5(8(12,13)14)6(3-4)18(15,16)17/h1-3H,(H2,15,16,17) |
| InChI Key | KQNPHVUXUGXXCV-UHFFFAOYSA-N |
| MDL Number | MFCD09475420 |
| Molecular Formula | C8H5F6NO2S |
| Molecular Weight | 293.1862 |
| SMILES | C1=C(C(F)(F)F)C=CC(=C1S(N)(=O)=O)C(F)(F)F |
| Synonyms | 2,5-Bis(trifluoromethyl)benzenesulfonamide,
951625-11-9,
2,5-bis-(trifluoromethyl)benzenesulfonamide,
SCHEMBL18985068,
CTK7F2142,
4209AF,
MFCD09475420,
ZINC19735914,
AKOS005254419,
AB0257025,
DB-058196,
TR-048470,
FT-0759103,
2,5-bis(trifluoromethyl)benzene-1-sulfonamide,
C-6154,
I14-6535,
C8H5F6NO2S,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.183g/mol |
| Monoisotopic Mass | 292.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number