| CAS Number | 1208074-79-6 |
| Catalog Number | AG01A17U |
| Chemical Name | 2-methyl-3-(trifluoromethyl)benzenesulfonamide |
| IUPAC Name | 2-methyl-3-(trifluoromethyl)benzenesulfonamide |
| InChI | InChI=1S/C8H8F3NO2S/c1-5-6(8(9,10)11)3-2-4-7(5)15(12,13)14/h2-4H,1H3,(H2,12,13,14) |
| InChI Key | YLPZPOWHZGYMJC-UHFFFAOYSA-N |
| MDL Number | MFCD12026248 |
| Molecular Formula | C8H8F3NO2S |
| Molecular Weight | 239.2148 |
| SMILES | CC1=C(C=CC=C1C(F)(F)F)S(=O)(=O)N |
| Synonyms | 1208074-79-6,
2-methyl-3-(trifluoromethyl)benzene-1-sulfonamide,
2-methyl-3-(trifluoromethyl)benzenesulfonamide,
2-Methyl-3-(trifluoromethyl)benzene sulfonamide,
SCHEMBL6193205,
CTK8E6266,
ZINC36533127,
AKOS017565809,
MCULE-6783111791,
NE20318,
RTR-064625,
Z1459946069,
N-methyl-3-(trifluoromethyl)benzenesulfonamide,
882423-09-8,
|
| Complexity | 320 |
| 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 | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number