| CAS Number | 877964-71-1 |
| Catalog Number | AG019PK8 |
| Chemical Name | N-(3-chloroquinoxalin-2-yl)-2-(trifluoromethyl)benzene-1-sulfonamide |
| IUPAC Name | N-(3-chloroquinoxalin-2-yl)-2-(trifluoromethyl)benzenesulfonamide |
| InChI | InChI=1S/C15H9ClF3N3O2S/c16-13-14(21-11-7-3-2-6-10(11)20-13)22-25(23,24)12-8-4-1-5-9(12)15(17,18)19/h1-8H,(H,21,22) |
| InChI Key | DBGXWMPLXLEJIZ-UHFFFAOYSA-N |
| MDL Number | MFCD07850260 |
| Molecular Formula | C15H9ClF3N3O2S |
| Molecular Weight | 387.7641 |
| SMILES | Clc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1C(F)(F)F |
| Synonyms | N-(3-chloroquinoxalin-2-yl)-2-(trifluoromethyl)benzene-1-sulfonamide,
877964-71-1,
N-(3-chloroquinoxalin-2-yl)-2-(trifluoromethyl)benzenesulfonamide,
AC1PKRTI,
AC1Q4IMS,
MLS001175708,
SCHEMBL2418454,
CHEMBL1343609,
CTK6H4081,
DBGXWMPLXLEJIZ-UHFFFAOYSA-N,
HMS2888L06,
ZINC7986307,
AKOS001210830,
MCULE-8836503621,
NE35692,
SMR000595834,
EN300-24035,
2-(trifluoromethyl)-N-{3-chloroquinoxalin-2-yl}benzene-sulfonamide,
2-(trifluoromethyl)-N-{3-chloroquinoxalin-2-yl}benzenesulfonamide,
ZINC07986307,
CID9115295,
|
| Complexity | 569 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.761g/mol |
| Monoisotopic Mass | 387.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number