| CAS Number | 157887-51-9 |
| Catalog Number | AG019VVH |
| Chemical Name | 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]benzene-1-sulfonamide |
| IUPAC Name | 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide |
| InChI | InChI=1S/C13H10ClF3N2O2S/c14-12-6-3-9(7-11(12)13(15,16)17)19-22(20,21)10-4-1-8(18)2-5-10/h1-7,19H,18H2 |
| InChI Key | FXBBJYBWNUVXKF-UHFFFAOYSA-N |
| MDL Number | MFCD12912775 |
| Molecular Formula | C13H10ClF3N2O2S |
| Molecular Weight | 350.7439 |
| SMILES | NC1=CC=C(S(NC2=CC(C(F)(F)F)=C(Cl)C=C2)(=O)=O)C=C1 |
| Synonyms | 4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]benzene-1-sulfonamide,
157887-51-9,
4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide,
AC1Q51X2,
CTK7D7889,
BBL035062,
STL420380,
ZINC20130422,
AKOS025120239,
MCULE-2490556384,
NE36047,
EN300-49628,
Z744592924,
CID10383268,
|
| Complexity | 473 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.74g/mol |
| Monoisotopic Mass | 350.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number