C11H9F3N4O2S — CID 29044411
6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide (PubChem CID 29044411) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide.
| Compound Name | 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide |
|---|---|
| PubChem CID | 29044411 |
| Molecular Formula | C11H9F3N4O2S |
| Molecular Weight | 318.28 g/mol |
| Exact Mass | 318.04 |
| IUPAC Name | 6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide |
| SMILES | NNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cn1 |
| InChI | InChI=1S/C11H9F3N4O2S/c12-7-2-3-8(11(14)10(7)13)18-21(19,20)6-1-4-9(17-15)16-5-6/h1-5,18H,15H2,(H,16,17) |
| InChIKey | MYZKKIKTNUXYKU-UHFFFAOYSA-N |
| XLogP | 1.59 |
| TPSA | 97.11 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 21 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 318.28 |
| LogP ≤ 5 | 1.59 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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