2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide

C13H19ClN2O2S — CID 64749413

IUPAC2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2O2S/c1-2-10-4-3-5-11(8-10)16-19(17,18)12-6-7-15-13(14)9-12/h6-7,9-11,16H,2-5,8H2,1H3
InChIKeyWLIFVUIIGQYBFN-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.98
Rot. Bonds4

About 2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide

2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide (PubChem CID 64749413) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide
PubChem CID64749413
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2O2S/c1-2-10-4-3-5-11(8-10)16-19(17,18)12-6-7-15-13(14)9-12/h6-7,9-11,16H,2-5,8H2,1H3
InChIKeyWLIFVUIIGQYBFN-UHFFFAOYSA-N
XLogP2.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-chloro-N-(2-ethylcyclohexyl)pyridine-4-sulfonamide
CID 61051433
2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide
CID 61047090
N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64749989
3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide
CID 64748214
2-(ethylamino)-N-(3-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 64741289
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
CID 114147254
2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
CID 54896019
2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide
CID 54896063
2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide
CID 62962177
3-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379774
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 63318006
2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 64749608

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide (CID 64749413) is 2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide is CCC1CCCC(NS(=O)(=O)c2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide?
The InChIKey is WLIFVUIIGQYBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-2-10-4-3-5-11(8-10)16-19(17,18)12-6-7-15-13(14)9-12/h6-7,9-11,16H,2-5,8H2,1H3.
What are the key properties of 2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide?
2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide is sourced from PubChem (CID 64749413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).