HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Methyl-5-(4,4-dimethylpiperidinosulfonyl)benzoic acid
Identifiers & Physical Properties
| Molecular formula | C15H21NO4S |
|---|---|
| Average molar mass | 311.4 g/mol |
| Monoisotopic mass | 311.11912932 g/mol |
| SMILES | Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC(C)(C)CC1 |
| InChIKey | SAECVVDSEQZTBO-UHFFFAOYSA-N |
| PubChem CID | 20505995 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 83.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 484 |