HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-bromo-N-butyl-5-formyl-4-methoxy-benzenesulfonamide
Identifiers & Physical Properties
| Molecular formula | C12H16BrNO4S |
|---|---|
| Average molar mass | 350.23 g/mol |
| Monoisotopic mass | 348.99834 g/mol |
| SMILES | CCCCNS(=O)(=O)c1cc(Br)c(OC)c(C=O)c1 |
| InChIKey | MLJOYEBWILEMKP-UHFFFAOYSA-N |
| PubChem CID | 86607708 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 80.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 7 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 382 |