N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide

C13H20N2O3S — CID 63999798

IUPACN-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(=O)[nH]c2)C(C)C1
InChIInChI=1S/C13H20N2O3S/c1-9-3-5-12(10(2)7-9)15-19(17,18)11-4-6-13(16)14-8-11/h4,6,8-10,12,15H,3,5,7H2,1-2H3,(H,14,16)
InChIKeyYRGNBGJGNVODAA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.48
Rot. Bonds3

About N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 63999798) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID63999798
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(=O)[nH]c2)C(C)C1
InChIInChI=1S/C13H20N2O3S/c1-9-3-5-12(10(2)7-9)15-19(17,18)11-4-6-13(16)14-8-11/h4,6,8-10,12,15H,3,5,7H2,1-2H3,(H,14,16)
InChIKeyYRGNBGJGNVODAA-UHFFFAOYSA-N
XLogP1.48
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylcyclopentyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 114549400
N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
CID 63999604
6-oxo-N-(1-oxothian-4-yl)-1H-pyridine-3-sulfonamide
CID 113480438
N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
CID 63997168
N-(1-cyclopropylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61273889
4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993923
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629431
N-(2,3-dihydro-1H-inden-1-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61274764
N-methoxy-6-oxo-1H-pyridine-3-sulfonamide
CID 107858243
4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
CID 164677819
5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide
CID 63996239
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 63999798) is N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide is CC1CCC(NS(=O)(=O)c2ccc(=O)[nH]c2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is YRGNBGJGNVODAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-3-5-12(10(2)7-9)15-19(17,18)11-4-6-13(16)14-8-11/h4,6,8-10,12,15H,3,5,7H2,1-2H3,(H,14,16).
What are the key properties of N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 63999798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).