| CAS Number | 923676-92-0 |
| Catalog Number | AG019K67 |
| Chemical Name | 4-cyano-3-(trifluoromethyl)benzene-1-sulfonamide |
| IUPAC Name | 4-cyano-3-(trifluoromethyl)benzenesulfonamide |
| InChI | InChI=1S/C8H5F3N2O2S/c9-8(10,11)7-3-6(16(13,14)15)2-1-5(7)4-12/h1-3H,(H2,13,14,15) |
| InChI Key | NDNVZATXCGMNHR-UHFFFAOYSA-N |
| MDL Number | MFCD08444471 |
| Molecular Formula | C8H5F3N2O2S |
| Molecular Weight | 250.1977 |
| SMILES | NS(C1=CC(C(F)(F)F)=C(C#N)C=C1)(=O)=O |
| Synonyms | 4-cyano-3-(trifluoromethyl)benzenesulfonamide,
4-cyano-3-(trifluoromethyl)benzene-1-sulfonamide,
923676-92-0,
AC1Q558B,
SCHEMBL16379693,
CTK7C8182,
ZINC9596214,
AKOS009102000,
MCULE-8932467580,
NE13876,
EN300-25686,
Z220383476,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.195g/mol |
| Monoisotopic Mass | 250.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number