6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide

C15H24N4O2S — CID 18207434

IUPAC6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NN=C2CCCCC2)nc1
InChIInChI=1S/C15H24N4O2S/c1-3-19(4-2)22(20,21)14-10-11-15(16-12-14)18-17-13-8-6-5-7-9-13/h10-12H,3-9H2,1-2H3,(H,16,18)
InChIKeyCGWOYQONYARLGQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.84
Rot. Bonds6

About 6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide

6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide (PubChem CID 18207434) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
PubChem CID18207434
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NN=C2CCCCC2)nc1
InChIInChI=1S/C15H24N4O2S/c1-3-19(4-2)22(20,21)14-10-11-15(16-12-14)18-17-13-8-6-5-7-9-13/h10-12H,3-9H2,1-2H3,(H,16,18)
InChIKeyCGWOYQONYARLGQ-UHFFFAOYSA-N
XLogP2.84
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide (CID 18207434) is 6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NN=C2CCCCC2)nc1.
What is the InChIKey of 6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is CGWOYQONYARLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-19(4-2)22(20,21)14-10-11-15(16-12-14)18-17-13-8-6-5-7-9-13/h10-12H,3-9H2,1-2H3,(H,16,18).
What are the key properties of 6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide?
6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 18207434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).