| CAS Number | 419561-38-9 |
| Catalog Number | AG01DHAR |
| Chemical Name | N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzene-1-sulfonamide |
| IUPAC Name | N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C14H11ClF3NO2S/c1-9-2-5-11(6-3-9)22(20,21)19-13-7-4-10(15)8-12(13)14(16,17)18/h2-8,19H,1H3 |
| InChI Key | MYPZYVWBNICUHX-UHFFFAOYSA-N |
| MDL Number | MFCD01348410 |
| Molecular Formula | C14H11ClF3NO2S |
| Molecular Weight | 349.7558 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F |
| Synonyms | N-[4-Chloro-2-(trifluoromethyl)phenyl]-4-methyl-Benzenesulfonamide,
419561-38-9,
AC1MX8GV,
ZINC5617771,
AKOS003961528,
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide,
ZINC05617771,
CID3761633,
|
| 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 |
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Certificate of Analysis
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