About N'-pyridin-2-ylmethanesulfonohydrazide
N'-pyridin-2-ylmethanesulfonohydrazide (PubChem CID 130638560) has the molecular formula C6H9N3O2S
and a molecular weight of 187.22 g/mol. Its IUPAC name is N'-pyridin-2-ylmethanesulfonohydrazide.
Molecular Properties
| Compound Name | N'-pyridin-2-ylmethanesulfonohydrazide |
| PubChem CID | 130638560 |
| Molecular Formula | C6H9N3O2S |
| Molecular Weight | 187.22 g/mol |
| Exact Mass | 187.04 |
| IUPAC Name | N'-pyridin-2-ylmethanesulfonohydrazide |
| SMILES | CS(=O)(=O)NNc1ccccn1 |
| InChI | InChI=1S/C6H9N3O2S/c1-12(10,11)9-8-6-4-2-3-5-7-6/h2-5,9H,1H3,(H,7,8) |
| InChIKey | KZEPYXCABXITQD-UHFFFAOYSA-N |
| XLogP | -0.04 |
| TPSA | 71.09 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 187.22 |
| LogP ≤ 5 | -0.04 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-pyridin-2-ylmethanesulfonohydrazide?
The IUPAC name of N'-pyridin-2-ylmethanesulfonohydrazide (CID 130638560) is N'-pyridin-2-ylmethanesulfonohydrazide.
What is the SMILES notation for N'-pyridin-2-ylmethanesulfonohydrazide?
The canonical SMILES for N'-pyridin-2-ylmethanesulfonohydrazide is CS(=O)(=O)NNc1ccccn1.
What is the InChIKey of N'-pyridin-2-ylmethanesulfonohydrazide?
The InChIKey is KZEPYXCABXITQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-12(10,11)9-8-6-4-2-3-5-7-6/h2-5,9H,1H3,(H,7,8).
What are the key properties of N'-pyridin-2-ylmethanesulfonohydrazide?
N'-pyridin-2-ylmethanesulfonohydrazide has a molecular weight of 187.22 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyridin-2-ylmethanesulfonohydrazide is sourced from PubChem (CID 130638560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).