| CAS Number | 502635-04-3 |
| Catalog Number | AG01AJLF(AGN-PC-0S7C13) |
| Chemical Name | 1-Phenylethane-1-sulfonamide |
| IUPAC Name | 1-phenylethanesulfonamide |
| InChI | InChI=1S/C8H11NO2S/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,9,10,11) |
| InChI Key | SPSQEKCXVRMSBW-UHFFFAOYSA-N |
| MDL Number | MFCD16672021 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | CC(S(N)(=O)=O)C1=CC=CC=C1 |
| Synonyms | 1-phenylethane-1-sulfonamide,
1-phenylethanesulfonamide,
502635-04-3,
SCHEMBL1792962,
SPSQEKCXVRMSBW-UHFFFAOYSA-N,
AKOS011364268,
MCULE-5068579229,
NE51820,
BENZENEMETHANESULFONAMIDE, A-METHYL-,
EN300-81034,
Z1575143810,
CID11275445,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.241g/mol |
| Monoisotopic Mass | 185.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number