5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide

C10H11ClN6O2S — CID 114111350

IUPAC5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCc2ccncn2)cc1Cl
InChIInChI=1S/C10H11ClN6O2S/c11-9-3-8(5-14-10(9)17-12)20(18,19)16-4-7-1-2-13-6-15-7/h1-3,5-6,16H,4,12H2,(H,14,17)
InChIKeyVTWFDOLBPLQXSZ-UHFFFAOYSA-N
MW314.76 g/mol
LogP0.29
Rot. Bonds5

About 5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide

5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide (PubChem CID 114111350) has the molecular formula C10H11ClN6O2S and a molecular weight of 314.76 g/mol. Its IUPAC name is 5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide
PubChem CID114111350
Molecular FormulaC10H11ClN6O2S
Molecular Weight314.76 g/mol
Exact Mass314.04
IUPAC Name5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCc2ccncn2)cc1Cl
InChIInChI=1S/C10H11ClN6O2S/c11-9-3-8(5-14-10(9)17-12)20(18,19)16-4-7-1-2-13-6-15-7/h1-3,5-6,16H,4,12H2,(H,14,17)
InChIKeyVTWFDOLBPLQXSZ-UHFFFAOYSA-N
XLogP0.29
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.76
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64607977
5-chloro-6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyridine-3-sulfonamide
CID 81177707
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 64607222
5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64607994
5-chloro-6-hydrazinyl-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64608544
4-chloro-3-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)benzenesulfonamide
CID 106092537
5-chloro-6-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyridine-3-sulfonamide
CID 64608765
5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 106373397
5-chloro-6-hydrazinyl-N-methyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 106936239
5-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608939
5-chloro-6-hydrazinyl-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114388272

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide (CID 114111350) is 5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide is NNc1ncc(S(=O)(=O)NCc2ccncn2)cc1Cl.
What is the InChIKey of 5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is VTWFDOLBPLQXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O2S/c11-9-3-8(5-14-10(9)17-12)20(18,19)16-4-7-1-2-13-6-15-7/h1-3,5-6,16H,4,12H2,(H,14,17).
What are the key properties of 5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide?
5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 314.76 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114111350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).