| CAS Number | 217454-98-3 |
| Catalog Number | AG01AKHC(AGN-PC-0MXORX) |
| Chemical Name | 2-Fluoro-5-(trifluoromethyl)benzene-1-sulfonamide |
| IUPAC Name | 2-fluoro-5-(trifluoromethyl)benzenesulfonamide |
| InChI | InChI=1S/C7H5F4NO2S/c8-5-2-1-4(7(9,10)11)3-6(5)15(12,13)14/h1-3H,(H2,12,13,14) |
| InChI Key | UQNWALSRFRMXJA-UHFFFAOYSA-N |
| MDL Number | MFCD12026239 |
| Molecular Formula | C7H5F4NO2S |
| Molecular Weight | 243.1787 |
| SMILES | O=S(C1=CC(C(F)(F)F)=CC=C1F)(N)=O |
| Synonyms | 217454-98-3,
2-Fluoro-5-(trifluoromethyl)benzene sulfonamide,
2-fluoro-5-(trifluoromethyl)benzene-1-sulfonamide,
2-fluoro-5-(trifluoromethyl)benzenesulfonamide,
CHEMBL145739,
SCHEMBL2777161,
DTXSID20434580,
ZINC27546588,
AKOS012337610,
MCULE-6629990984,
NE54789,
EN300-84125,
CID10037409,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.176g/mol |
| Monoisotopic Mass | 242.998g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number