5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide

C13H15ClN4O2S — CID 64609120

IUPAC5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C13H15ClN4O2S/c1-2-9-5-3-4-6-12(9)18-21(19,20)10-7-11(14)13(17-15)16-8-10/h3-8,18H,2,15H2,1H3,(H,16,17)
InChIKeyZQOFMSFBQWPLBV-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.38
Rot. Bonds5

About 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide

5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide (PubChem CID 64609120) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide
PubChem CID64609120
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C13H15ClN4O2S/c1-2-9-5-3-4-6-12(9)18-21(19,20)10-7-11(14)13(17-15)16-8-10/h3-8,18H,2,15H2,1H3,(H,16,17)
InChIKeyZQOFMSFBQWPLBV-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide (CID 64609120) is 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide is CCc1ccccc1NS(=O)(=O)c1cnc(NN)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide?
The InChIKey is ZQOFMSFBQWPLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-2-9-5-3-4-6-12(9)18-21(19,20)10-7-11(14)13(17-15)16-8-10/h3-8,18H,2,15H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide?
5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 64609120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).