| CAS Number | 50790-32-4 |
| Catalog Number | AG01BD65(AGN-PC-0JTHO4) |
| Chemical Name | N-[4-(trifluoromethyl)phenyl]methanesulfonamide |
| IUPAC Name | N-[4-(trifluoromethyl)phenyl]methanesulfonamide |
| InChI | InChI=1S/C8H8F3NO2S/c1-15(13,14)12-7-4-2-6(3-5-7)8(9,10)11/h2-5,12H,1H3 |
| InChI Key | QAMPCHWLFPGVCG-UHFFFAOYSA-N |
| MDL Number | MFCD04354966 |
| Molecular Formula | C8H8F3NO2S |
| Molecular Weight | 239.2148 |
| SMILES | FC(C1=CC=C(C=C1)NS(=O)(=O)C)(F)F |
| Synonyms | N-[4-(Trifluoromethyl)phenyl]methanesulfonamide,
50790-32-4,
AC1LC6LR,
CHEMBL4082306,
SCHEMBL13656086,
QAMPCHWLFPGVCG-UHFFFAOYSA-N,
ZINC610791,
STL254913,
AKOS003232585,
MCULE-4628599310,
NE59218,
(4-Trifluoromethylphenyl)methanesulfonamide,
Phenylamine, 4-trifluoromethyl-N-methylsulfonyl-,
N-[4-(Trifluoromethyl)phenyl]methanesulfonamide #,
CID595259,
ZINC00610791,
500108-07-6,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.212g/mol |
| Monoisotopic Mass | 239.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number