5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide

C9H11ClN6O2S — CID 64607994

IUPAC5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCc2cn[nH]c2)cc1Cl
InChIInChI=1S/C9H11ClN6O2S/c10-8-1-7(5-12-9(8)16-11)19(17,18)15-4-6-2-13-14-3-6/h1-3,5,15H,4,11H2,(H,12,16)(H,13,14)
InChIKeyNCEWOAJICXAFRS-UHFFFAOYSA-N
MW302.75 g/mol
LogP0.22
Rot. Bonds5

About 5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide

5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide (PubChem CID 64607994) has the molecular formula C9H11ClN6O2S and a molecular weight of 302.75 g/mol. Its IUPAC name is 5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
PubChem CID64607994
Molecular FormulaC9H11ClN6O2S
Molecular Weight302.75 g/mol
Exact Mass302.04
IUPAC Name5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCc2cn[nH]c2)cc1Cl
InChIInChI=1S/C9H11ClN6O2S/c10-8-1-7(5-12-9(8)16-11)19(17,18)15-4-6-2-13-14-3-6/h1-3,5,15H,4,11H2,(H,12,16)(H,13,14)
InChIKeyNCEWOAJICXAFRS-UHFFFAOYSA-N
XLogP0.22
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64599947
5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64607977
5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 64607222
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide
CID 114111350
5-chloro-6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyridine-3-sulfonamide
CID 81177707
5-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608939
4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126765
5-chloro-6-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyridine-3-sulfonamide
CID 64608765
5-chloro-N-(2-cyclobutylethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 113479037
5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 106373397
4-chloro-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61004535

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide (CID 64607994) is 5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide is NNc1ncc(S(=O)(=O)NCc2cn[nH]c2)cc1Cl.
What is the InChIKey of 5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is NCEWOAJICXAFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6O2S/c10-8-1-7(5-12-9(8)16-11)19(17,18)15-4-6-2-13-14-3-6/h1-3,5,15H,4,11H2,(H,12,16)(H,13,14).
What are the key properties of 5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide?
5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 302.75 g/mol, XLogP of 0.22, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64607994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).