| CAS Number | 898074-77-6 |
| Catalog Number | AG01A5TI |
| Chemical Name | N-ethyl-2,5-difluorobenzene-1-sulfonamide |
| IUPAC Name | N-ethyl-2,5-difluorobenzenesulfonamide |
| InChI | InChI=1S/C8H9F2NO2S/c1-2-11-14(12,13)8-5-6(9)3-4-7(8)10/h3-5,11H,2H2,1H3 |
| InChI Key | PJMJIUHQPKRCGK-UHFFFAOYSA-N |
| MDL Number | MFCD05086730 |
| Molecular Formula | C8H9F2NO2S |
| Molecular Weight | 221.2244 |
| SMILES | CCNS(C1=C(F)C=CC(F)=C1)(=O)=O |
| Synonyms | N-ethyl-2,5-difluorobenzene-1-sulfonamide,
898074-77-6,
ZINC13938541,
AKOS003835562,
NE54394,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.222g/mol |
| Monoisotopic Mass | 221.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number