5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide

C13H18Cl2N2O2S — CID 79871007

IUPAC5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2S/c1-13(2)6-4-3-5-11(13)17-20(18,19)9-7-10(14)12(15)16-8-9/h7-8,11,17H,3-6H2,1-2H3
InChIKeyMLQYKLZVEMDOCY-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.64
Rot. Bonds3

About 5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide

5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide (PubChem CID 79871007) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide
PubChem CID79871007
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2S/c1-13(2)6-4-3-5-11(13)17-20(18,19)9-7-10(14)12(15)16-8-9/h7-8,11,17H,3-6H2,1-2H3
InChIKeyMLQYKLZVEMDOCY-UHFFFAOYSA-N
XLogP3.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.64
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-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
CID 79873051
5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
CID 103743716
5-[(2,2-dimethylcyclohexyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614590
5,6-dichloro-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64908038
4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79861627
4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79872495
5-bromo-4-chloro-N-(2,2-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 80580128
5,6-dichloro-N-(1-cyclohexylethyl)pyridine-3-sulfonamide
CID 64608609
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 79872664
N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide
CID 59891712
5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
CID 64608959

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide (CID 79871007) is 5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide is CC1(C)CCCCC1NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide?
The InChIKey is MLQYKLZVEMDOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-13(2)6-4-3-5-11(13)17-20(18,19)9-7-10(14)12(15)16-8-9/h7-8,11,17H,3-6H2,1-2H3.
What are the key properties of 5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide has a molecular weight of 337.27 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 79871007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).