6-chloro-N-cyclohexylpyridine-3-sulfonamide

C11H15ClN2O2S — CID 822454

IUPAC6-chloro-N-cyclohexylpyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O2S/c12-11-7-6-10(8-13-11)17(15,16)14-9-4-2-1-3-5-9/h6-9,14H,1-5H2
InChIKeyJNFXRSADYROONU-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.35
Rot. Bonds3

About 6-chloro-N-cyclohexylpyridine-3-sulfonamide

6-chloro-N-cyclohexylpyridine-3-sulfonamide (PubChem CID 822454) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 6-chloro-N-cyclohexylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-cyclohexylpyridine-3-sulfonamide
PubChem CID822454
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name6-chloro-N-cyclohexylpyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O2S/c12-11-7-6-10(8-13-11)17(15,16)14-9-4-2-1-3-5-9/h6-9,14H,1-5H2
InChIKeyJNFXRSADYROONU-UHFFFAOYSA-N
XLogP2.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-cyclohexylpyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-cyclohexylpyridine-3-sulfonamide (CID 822454) is 6-chloro-N-cyclohexylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-cyclohexylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-cyclohexylpyridine-3-sulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-cyclohexylpyridine-3-sulfonamide?
The InChIKey is JNFXRSADYROONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-11-7-6-10(8-13-11)17(15,16)14-9-4-2-1-3-5-9/h6-9,14H,1-5H2.
What are the key properties of 6-chloro-N-cyclohexylpyridine-3-sulfonamide?
6-chloro-N-cyclohexylpyridine-3-sulfonamide has a molecular weight of 274.77 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexylpyridine-3-sulfonamide is sourced from PubChem (CID 822454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).