5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide

C13H15ClN4O2S — CID 64607222

IUPAC5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2cnc(NN)c(Cl)c2)c1
InChIInChI=1S/C13H15ClN4O2S/c1-9-3-2-4-10(5-9)7-17-21(19,20)11-6-12(14)13(18-15)16-8-11/h2-6,8,17H,7,15H2,1H3,(H,16,18)
InChIKeyLKYYQPWRVWTKMK-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.81
Rot. Bonds5

About 5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide

5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 64607222) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
PubChem CID64607222
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2cnc(NN)c(Cl)c2)c1
InChIInChI=1S/C13H15ClN4O2S/c1-9-3-2-4-10(5-9)7-17-21(19,20)11-6-12(14)13(18-15)16-8-11/h2-6,8,17H,7,15H2,1H3,(H,16,18)
InChIKeyLKYYQPWRVWTKMK-UHFFFAOYSA-N
XLogP1.81
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64607994
5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 106373397
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
6-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146516
5-chloro-N-(2-chloro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608552
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-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64606204
5-chloro-6-hydrazinyl-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64608544
5-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608939
3-chloro-4-methyl-N-[(3-methylphenyl)methyl]-5-nitrobenzenesulfonamide
CID 39984889

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide (CID 64607222) is 5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide is Cc1cccc(CNS(=O)(=O)c2cnc(NN)c(Cl)c2)c1.
What is the InChIKey of 5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is LKYYQPWRVWTKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-9-3-2-4-10(5-9)7-17-21(19,20)11-6-12(14)13(18-15)16-8-11/h2-6,8,17H,7,15H2,1H3,(H,16,18).
What are the key properties of 5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide?
5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64607222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).