2-cyclohexylpyridine-3-sulfonyl chloride

C11H14ClNO2S — CID 175131598

IUPAC2-cyclohexylpyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1C1CCCCC1
InChIInChI=1S/C11H14ClNO2S/c12-16(14,15)10-7-4-8-13-11(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyHLWCEAXCDPJAQG-UHFFFAOYSA-N
MW259.76 g/mol
LogP3.06
Rot. Bonds2

About 2-cyclohexylpyridine-3-sulfonyl chloride

2-cyclohexylpyridine-3-sulfonyl chloride (PubChem CID 175131598) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-cyclohexylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-cyclohexylpyridine-3-sulfonyl chloride
PubChem CID175131598
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name2-cyclohexylpyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1C1CCCCC1
InChIInChI=1S/C11H14ClNO2S/c12-16(14,15)10-7-4-8-13-11(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyHLWCEAXCDPJAQG-UHFFFAOYSA-N
XLogP3.06
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpyridine-3-sulfonyl chloride?
The IUPAC name of 2-cyclohexylpyridine-3-sulfonyl chloride (CID 175131598) is 2-cyclohexylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-cyclohexylpyridine-3-sulfonyl chloride?
The canonical SMILES for 2-cyclohexylpyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cccnc1C1CCCCC1.
What is the InChIKey of 2-cyclohexylpyridine-3-sulfonyl chloride?
The InChIKey is HLWCEAXCDPJAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-16(14,15)10-7-4-8-13-11(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2.
What are the key properties of 2-cyclohexylpyridine-3-sulfonyl chloride?
2-cyclohexylpyridine-3-sulfonyl chloride has a molecular weight of 259.76 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 175131598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).