| CAS Number | 565209-22-5 |
| Catalog Number | AG00IA37(AGN-PC-0WR4KS) |
| Chemical Name | 3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide |
| IUPAC Name | 3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide |
| InChI | InChI=1S/C14H13F3N2O2S/c1-9-5-6-12(8-13(9)18)22(20,21)19-11-4-2-3-10(7-11)14(15,16)17/h2-8,19H,18H2,1H3 |
| InChI Key | OAXYHSGWCABISI-UHFFFAOYSA-N |
| MDL Number | MFCD04611959 |
| Molecular Formula | C14H13F3N2O2S |
| Molecular Weight | 330.3254 |
| SMILES | Nc1cc(ccc1C)S(=O)(=O)Nc1cccc(c1)C(F)(F)F |
| Synonyms | 565209-22-5,
3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide,
3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide,
AC1NDY7A,
AC1Q2LTR,
CTK7D5672,
ZINC3886801,
MFCD04611959,
AKOS034466393,
MCULE-5460212898,
NE12873,
EN300-07002,
SR-01000045175,
SR-01000045175-1,
Z56930662,
ZINC03886801,
CID4583533,
|
| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.325g/mol |
| Monoisotopic Mass | 330.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number