HuagongsheHuagongshe Chemistry Print Report · For research reference only
(E)-5-(3-Phenylsulfamoylphenyl)pent-2-en-4-ynoic acid
Identifiers & Physical Properties
| Molecular formula | C17H13NO4S |
|---|---|
| Average molar mass | 327.4 g/mol |
| Monoisotopic mass | 327.05652907 g/mol |
| SMILES | O=C(O)/C=C/C#Cc1cccc(S(=O)(=O)Nc2ccccc2)c1 |
| InChIKey | SUVZEQHHTYXYSK-LFYBBSHMSA-N |
| PubChem CID | 22492410 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 91.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 599 |