HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-{3-[(7-Bromoheptyl)oxy]prop-1-ynyl}benzenesulfonamide
![3-{3-[(7-Bromoheptyl)oxy]prop-1-ynyl}benzenesulfonamide molecular structure](/img/chemical/21895385.png)
Identifiers & Physical Properties
| Molecular formula | C16H22BrNO3S |
|---|---|
| Average molar mass | 388.3 g/mol |
| SMILES | NS(=O)(=O)c1cccc(C#CCOCCCCCCCBr)c1 |
| InChIKey | MIHYMSQLSRPNFK-UHFFFAOYSA-N |
| PubChem CID | 21895385 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 77.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 10 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 461 |