HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-[4-(Benzenesulfonyl)phenyl]-3-(dimethylamino)prop-2-en-1-one
3-(Dimethylamino)-1-[4-(phenylsulfonyl)phenyl]-2-propen-1-one · 2-Propen-1-one, 3-(dimethylamino)-1-[4-(phenylsulfonyl)phenyl]- · (2E)-1-[4-(benzenesulfonyl)phenyl]-3-(dimethylamino)prop-2-en-1-one
![1-[4-(Benzenesulfonyl)phenyl]-3-(dimethylamino)prop-2-en-1-one molecular structure](/img/chemical/730388.png)
Identifiers & Physical Properties
| CAS No. | 321432-57-9 |
|---|---|
| Molecular formula | C17H17NO3S |
| Average molar mass | 315.4 g/mol |
| Monoisotopic mass | 315.09291458 g/mol |
| SMILES | CN(C)C=CC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1 |
| InChIKey | ICVMMSHWXIIREX-UHFFFAOYSA-N |
| PubChem CID | 730388 |
| ChEBI | CHEBI:228540 |
| DTXSID | DTXSID201182887 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 62.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 490 |
| Boiling point | 488.7±45.0 °C(Predicted) |
| Density | 1.214±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 6.20±0.70(Predicted) |