2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide

C13H19ClN2O2S — CID 54896019

IUPAC2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
SMILESO=S(=O)(NCCC1CCCCC1)c1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c14-13-10-12(7-8-15-13)19(17,18)16-9-6-11-4-2-1-3-5-11/h7-8,10-11,16H,1-6,9H2
InChIKeyRMLHECIGGUMVIS-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.98
Rot. Bonds5

About 2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide

2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide (PubChem CID 54896019) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
PubChem CID54896019
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
SMILESO=S(=O)(NCCC1CCCCC1)c1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c14-13-10-12(7-8-15-13)19(17,18)16-9-6-11-4-2-1-3-5-11/h7-8,10-11,16H,1-6,9H2
InChIKeyRMLHECIGGUMVIS-UHFFFAOYSA-N
XLogP2.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylethyl)-2-hydrazinylpyridine-4-sulfonamide
CID 54895638
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 63318006
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
CID 114147254
2-chloro-N-(2-cyclohexylethyl)pyridine-3-sulfonamide
CID 54932567
2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
CID 60734449
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
CID 61249244
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
CID 82843865
5-chloro-N-(2-cyclopentylethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64600883
2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide
CID 64749413
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-chloro-N-(2-ethylcyclohexyl)pyridine-4-sulfonamide
CID 61051433

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide (CID 54896019) is 2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide is O=S(=O)(NCCC1CCCCC1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide?
The InChIKey is RMLHECIGGUMVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c14-13-10-12(7-8-15-13)19(17,18)16-9-6-11-4-2-1-3-5-11/h7-8,10-11,16H,1-6,9H2.
What are the key properties of 2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide?
2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 54896019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).