2-ethylcyclohexane-1-sulfonyl chloride

C8H15ClO2S — CID 63863375

IUPAC2-ethylcyclohexane-1-sulfonyl chloride
SMILESCCC1CCCCC1S(=O)(=O)Cl
InChIInChI=1S/C8H15ClO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h7-8H,2-6H2,1H3
InChIKeyZVNDFHAFYPTWDV-UHFFFAOYSA-N
MW210.73 g/mol
LogP2.52
Rot. Bonds2

About 2-ethylcyclohexane-1-sulfonyl chloride

2-ethylcyclohexane-1-sulfonyl chloride (PubChem CID 63863375) has the molecular formula C8H15ClO2S and a molecular weight of 210.73 g/mol. Its IUPAC name is 2-ethylcyclohexane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-ethylcyclohexane-1-sulfonyl chloride
PubChem CID63863375
Molecular FormulaC8H15ClO2S
Molecular Weight210.73 g/mol
Exact Mass210.05
IUPAC Name2-ethylcyclohexane-1-sulfonyl chloride
SMILESCCC1CCCCC1S(=O)(=O)Cl
InChIInChI=1S/C8H15ClO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h7-8H,2-6H2,1H3
InChIKeyZVNDFHAFYPTWDV-UHFFFAOYSA-N
XLogP2.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.73
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2-ethylcyclohexyl)sulfonyl-2-methylpropanoate
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cis-(1S,2R)-2-hydroxycyclohexane-1-sulfonyl chloride
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carbonic acid;1,2-diethylcyclohexane
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2,3-dimethylcyclohexane-1-sulfonyl chloride
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(2-methylcyclopentyl)methanesulfonyl chloride
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(2-fluorocyclohexyl)methanesulfonyl chloride
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(2-propylsulfonylcyclohexyl)methanamine
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(2-ethylcyclohexyl)-trifluoroboranuide
CID 63861701
(1R)-1-ethyl-2-propylcyclohexane
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cyclopentylmethanesulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclohexane-1-sulfonyl chloride?
The IUPAC name of 2-ethylcyclohexane-1-sulfonyl chloride (CID 63863375) is 2-ethylcyclohexane-1-sulfonyl chloride.
What is the SMILES notation for 2-ethylcyclohexane-1-sulfonyl chloride?
The canonical SMILES for 2-ethylcyclohexane-1-sulfonyl chloride is CCC1CCCCC1S(=O)(=O)Cl.
What is the InChIKey of 2-ethylcyclohexane-1-sulfonyl chloride?
The InChIKey is ZVNDFHAFYPTWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h7-8H,2-6H2,1H3.
What are the key properties of 2-ethylcyclohexane-1-sulfonyl chloride?
2-ethylcyclohexane-1-sulfonyl chloride has a molecular weight of 210.73 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclohexane-1-sulfonyl chloride is sourced from PubChem (CID 63863375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).