| CAS Number | 406191-34-2 |
| Catalog Number | AG01EP9D(AGN-PC-3H46MF) |
| Chemical Name | 5-chloro-2-benzofurancarboxylicacid2-[[2-(trifluoromethyl)phenyl]sulfonyl]hydrazide |
| IUPAC Name | 5-chloro-N'-[2-(trifluoromethyl)phenyl]sulfonyl-1-benzofuran-2-carbohydrazide |
| InChI | InChI=1S/C16H10ClF3N2O4S/c17-10-5-6-12-9(7-10)8-13(26-12)15(23)21-22-27(24,25)14-4-2-1-3-11(14)16(18,19)20/h1-8,22H,(H,21,23) |
| InChI Key | ZLQBZYKAQQWOTK-UHFFFAOYSA-N |
| MDL Number | MFCD34368502 |
| Molecular Formula | C16H10ClF3N2O4S |
| Molecular Weight | 418.7748 |
| SMILES | O=C(NNS(=O)(=O)C=1C=CC=CC1C(F)(F)F)C=2OC=3C=CC(Cl)=CC3C2 |
| Synonyms | CHEMBL1231666,
N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE,
CBC,
AC1OCA8A,
BDBM50353005,
ZINC16051764,
DB07544,
5-chloro-2-benzofurancarboxylicacid2-[[2-(trifluoromethyl)phenyl]sulfonyl]hydrazide,
5-chloro-N'-[2-(trifluoromethyl)benzenesulfonyl]-1-benzofuran-2-carbohydrazide,
5-chloro-N'-[2-(trifluoromethyl)phenyl]sulfonyl-1-benzofuran-2-carbohydrazide,
5-chloro-N'-{[2-(trifluoromethyl)phenyl]sulfonyl}-1-benzofuran-2-carbohydrazide,
N'-[(5-chloro-1-benzofuran-2-yl)carbonyl]-2-(trifluoro-methyl) benzenesulfonohydrazide,
406191-34-2,
CID6914573,
|
| Complexity | 655 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 418g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 418.771g/mol |
| Monoisotopic Mass | 418g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number