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

C11H12ClN5O2S — CID 64607977

IUPAC5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCc2cccnc2)cc1Cl
InChIInChI=1S/C11H12ClN5O2S/c12-10-4-9(7-15-11(10)17-13)20(18,19)16-6-8-2-1-3-14-5-8/h1-5,7,16H,6,13H2,(H,15,17)
InChIKeyBGSSGWZBPASLKR-UHFFFAOYSA-N
MW313.77 g/mol
LogP0.89
Rot. Bonds5

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

5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 64607977) has the molecular formula C11H12ClN5O2S and a molecular weight of 313.77 g/mol. Its IUPAC name is 5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID64607977
Molecular FormulaC11H12ClN5O2S
Molecular Weight313.77 g/mol
Exact Mass313.04
IUPAC Name5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCc2cccnc2)cc1Cl
InChIInChI=1S/C11H12ClN5O2S/c12-10-4-9(7-15-11(10)17-13)20(18,19)16-6-8-2-1-3-14-5-8/h1-5,7,16H,6,13H2,(H,15,17)
InChIKeyBGSSGWZBPASLKR-UHFFFAOYSA-N
XLogP0.89
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 50.89
H-Bond Donors ≤ 53
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-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64606204
5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 64607222
5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide
CID 114111350
5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64607994
5-chloro-6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyridine-3-sulfonamide
CID 81177707
5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 136574861
5-chloro-6-hydrazinyl-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64608544
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
3-amino-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 82845301
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
5-chloro-6-hydrazinyl-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787298

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide (CID 64607977) is 5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide is NNc1ncc(S(=O)(=O)NCc2cccnc2)cc1Cl.
What is the InChIKey of 5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is BGSSGWZBPASLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2S/c12-10-4-9(7-15-11(10)17-13)20(18,19)16-6-8-2-1-3-14-5-8/h1-5,7,16H,6,13H2,(H,15,17).
What are the key properties of 5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 313.77 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64607977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).