| CAS Number | 428470-14-8 |
| Catalog Number | AG019ESG |
| Chemical Name | N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylbenzene-1-sulfonamide |
| IUPAC Name | N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C14H11ClF3NO2S/c1-9-2-5-11(6-3-9)22(20,21)19-10-4-7-13(15)12(8-10)14(16,17)18/h2-8,19H,1H3 |
| InChI Key | GTMWJIGXWBDCCO-UHFFFAOYSA-N |
| MDL Number | MFCD01348409 |
| Molecular Formula | C14H11ClF3NO2S |
| Molecular Weight | 349.7558 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c(c1)C(F)(F)F |
| Synonyms | N-(4-chloro-3-(trifluoromethyl)phenyl)-4-methylbenzenesulfonamide,
428470-14-8,
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide,
AC1LH7IT,
ZINC454216,
STL137257,
AKOS000383129,
MCULE-6067249313,
CS-0061319,
CID882972,
ZINC00454216,
|
| Complexity | 470 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.752g/mol |
| Monoisotopic Mass | 349.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number