2-ethylcyclohexene-1-sulfonyl chloride

C8H13ClO2S — CID 141012059

IUPAC2-ethylcyclohexene-1-sulfonyl chloride
SMILESCCC1=C(S(=O)(=O)Cl)CCCC1
InChIInChI=1S/C8H13ClO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h2-6H2,1H3
InChIKeyPXFIGNZTIFOMCS-UHFFFAOYSA-N
MW208.71 g/mol
LogP2.79
Rot. Bonds2

About 2-ethylcyclohexene-1-sulfonyl chloride

2-ethylcyclohexene-1-sulfonyl chloride (PubChem CID 141012059) has the molecular formula C8H13ClO2S and a molecular weight of 208.71 g/mol. Its IUPAC name is 2-ethylcyclohexene-1-sulfonyl chloride.

Molecular Properties

Compound Name2-ethylcyclohexene-1-sulfonyl chloride
PubChem CID141012059
Molecular FormulaC8H13ClO2S
Molecular Weight208.71 g/mol
Exact Mass208.03
IUPAC Name2-ethylcyclohexene-1-sulfonyl chloride
SMILESCCC1=C(S(=O)(=O)Cl)CCCC1
InChIInChI=1S/C8H13ClO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h2-6H2,1H3
InChIKeyPXFIGNZTIFOMCS-UHFFFAOYSA-N
XLogP2.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-methyl-2-methylsulfonylnon-2-ene
CID 134851608
3,4-Dimethylcyclohex-3-ene-1-sulfonyl fluoride
CID 165453066
2,5-Dimethylcyclohexene-1-sulfonyl chloride;yttrium
CID 57870865
3,4-Dimethylcyclohex-3-ene-1-sulfinate
CID 163715987
3,4-Dimethylcyclohex-3-ene-1-sulfonamide
CID 44632259
3,4-Dimethylcyclohex-3-ene-1-sulfonyl chloride
CID 55280024
2,5-Dimethylcyclohexene-1-sulfonyl chloride
CID 57870866
2-(Cyclohex-1-en-1-yl)ethane-1-sulfonyl chloride
CID 84676523
(1R)-3,4-dimethylcyclohex-3-ene-1-sulfonyl chloride
CID 97960500
(1S)-3,4-dimethylcyclohex-3-ene-1-sulfonyl chloride
CID 97960501
3,4-Dimethylcyclohex-3-ene-1-sulfinic acid
CID 163715988

Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclohexene-1-sulfonyl chloride?
The IUPAC name of 2-ethylcyclohexene-1-sulfonyl chloride (CID 141012059) is 2-ethylcyclohexene-1-sulfonyl chloride.
What is the SMILES notation for 2-ethylcyclohexene-1-sulfonyl chloride?
The canonical SMILES for 2-ethylcyclohexene-1-sulfonyl chloride is CCC1=C(S(=O)(=O)Cl)CCCC1.
What is the InChIKey of 2-ethylcyclohexene-1-sulfonyl chloride?
The InChIKey is PXFIGNZTIFOMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h2-6H2,1H3.
What are the key properties of 2-ethylcyclohexene-1-sulfonyl chloride?
2-ethylcyclohexene-1-sulfonyl chloride has a molecular weight of 208.71 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclohexene-1-sulfonyl chloride is sourced from PubChem (CID 141012059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).