C13H15ClN4O2S — CID 64609120
5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide (PubChem CID 64609120) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide.
| Compound Name | 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide |
|---|---|
| PubChem CID | 64609120 |
| Molecular Formula | C13H15ClN4O2S |
| Molecular Weight | 326.81 g/mol |
| Exact Mass | 326.06 |
| IUPAC Name | 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide |
| SMILES | CCc1ccccc1NS(=O)(=O)c1cnc(NN)c(Cl)c1 |
| InChI | InChI=1S/C13H15ClN4O2S/c1-2-9-5-3-4-6-12(9)18-21(19,20)10-7-11(14)13(17-15)16-8-10/h3-8,18H,2,15H2,1H3,(H,16,17) |
| InChIKey | ZQOFMSFBQWPLBV-UHFFFAOYSA-N |
| XLogP | 2.38 |
| TPSA | 97.11 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 21 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 326.81 |
| LogP ≤ 5 | 2.38 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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