5-(4-oxocyclohexyl)pyridine-2-sulfonamide

C11H14N2O3S — CID 146640874

IUPAC5-(4-oxocyclohexyl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2CCC(=O)CC2)cn1
InChIInChI=1S/C11H14N2O3S/c12-17(15,16)11-6-3-9(7-13-11)8-1-4-10(14)5-2-8/h3,6-8H,1-2,4-5H2,(H2,12,15,16)
InChIKeyJNRQPRSSZCUCHC-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.96
Rot. Bonds2

About 5-(4-oxocyclohexyl)pyridine-2-sulfonamide

5-(4-oxocyclohexyl)pyridine-2-sulfonamide (PubChem CID 146640874) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-(4-oxocyclohexyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(4-oxocyclohexyl)pyridine-2-sulfonamide
PubChem CID146640874
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name5-(4-oxocyclohexyl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2CCC(=O)CC2)cn1
InChIInChI=1S/C11H14N2O3S/c12-17(15,16)11-6-3-9(7-13-11)8-1-4-10(14)5-2-8/h3,6-8H,1-2,4-5H2,(H2,12,15,16)
InChIKeyJNRQPRSSZCUCHC-UHFFFAOYSA-N
XLogP0.96
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-oxocyclohexyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(4-oxocyclohexyl)pyridine-2-sulfonamide (CID 146640874) is 5-(4-oxocyclohexyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(4-oxocyclohexyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(4-oxocyclohexyl)pyridine-2-sulfonamide is NS(=O)(=O)c1ccc(C2CCC(=O)CC2)cn1.
What is the InChIKey of 5-(4-oxocyclohexyl)pyridine-2-sulfonamide?
The InChIKey is JNRQPRSSZCUCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c12-17(15,16)11-6-3-9(7-13-11)8-1-4-10(14)5-2-8/h3,6-8H,1-2,4-5H2,(H2,12,15,16).
What are the key properties of 5-(4-oxocyclohexyl)pyridine-2-sulfonamide?
5-(4-oxocyclohexyl)pyridine-2-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxocyclohexyl)pyridine-2-sulfonamide is sourced from PubChem (CID 146640874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).