N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H18N2O3S — CID 43629181

IUPACN-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H18N2O3S/c1-9-2-4-10(5-3-9)14-18(16,17)11-6-7-12(15)13-8-11/h6-10,14H,2-5H2,1H3,(H,13,15)
InChIKeyYKNCZZUWEBFRPO-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.23
Rot. Bonds3

About N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629181) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629181
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H18N2O3S/c1-9-2-4-10(5-3-9)14-18(16,17)11-6-7-12(15)13-8-11/h6-10,14H,2-5H2,1H3,(H,13,15)
InChIKeyYKNCZZUWEBFRPO-UHFFFAOYSA-N
XLogP1.23
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-sulfonamide
CID 61273658
6-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-sulfonamide
CID 61273847
6-oxo-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyridine-3-sulfonamide
CID 61275404
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7768202
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7768205
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7768209
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7768213
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7828916
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7828917
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7828918
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7828919
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-methylcyclohexyl)acetamide
CID 7828933

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629181) is N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide is CC1CCC(NS(=O)(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is YKNCZZUWEBFRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-2-4-10(5-3-9)14-18(16,17)11-6-7-12(15)13-8-11/h6-10,14H,2-5H2,1H3,(H,13,15).
What are the key properties of N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).