3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide

C11H15ClN2O3S — CID 19957947

IUPAC3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncccc1OC1CCCCC1Cl
InChIInChI=1S/C11H15ClN2O3S/c12-8-4-1-2-5-9(8)17-10-6-3-7-14-11(10)18(13,15)16/h3,6-9H,1-2,4-5H2,(H2,13,15,16)
InChIKeyCXRYXKTVQCCWRI-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.66
Rot. Bonds3

About 3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide

3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide (PubChem CID 19957947) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide
PubChem CID19957947
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncccc1OC1CCCCC1Cl
InChIInChI=1S/C11H15ClN2O3S/c12-8-4-1-2-5-9(8)17-10-6-3-7-14-11(10)18(13,15)16/h3,6-9H,1-2,4-5H2,(H2,13,15,16)
InChIKeyCXRYXKTVQCCWRI-UHFFFAOYSA-N
XLogP1.66
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide?
The IUPAC name of 3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide (CID 19957947) is 3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide.
What is the SMILES notation for 3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide?
The canonical SMILES for 3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide is NS(=O)(=O)c1ncccc1OC1CCCCC1Cl.
What is the InChIKey of 3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide?
The InChIKey is CXRYXKTVQCCWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-8-4-1-2-5-9(8)17-10-6-3-7-14-11(10)18(13,15)16/h3,6-9H,1-2,4-5H2,(H2,13,15,16).
What are the key properties of 3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide?
3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorocyclohexyl)oxypyridine-2-sulfonamide is sourced from PubChem (CID 19957947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).