2-[(E)-2-chloroethenyl]sulfonylpropane

C5H9ClO2S — CID 13198779

IUPAC2-[(E)-2-chloroethenyl]sulfonylpropane
SMILESCC(C)S(=O)(=O)/C=C/Cl
InChIInChI=1S/C5H9ClO2S/c1-5(2)9(7,8)4-3-6/h3-5H,1-2H3/b4-3+
InChIKeyDHYYPMWQHNXIQV-ONEGZZNKSA-N
MW168.65 g/mol
LogP1.52
Rot. Bonds2

About 2-[(E)-2-chloroethenyl]sulfonylpropane

2-[(E)-2-chloroethenyl]sulfonylpropane (PubChem CID 13198779) has the molecular formula C5H9ClO2S and a molecular weight of 168.65 g/mol. Its IUPAC name is 2-[(E)-2-chloroethenyl]sulfonylpropane.

Molecular Properties

Compound Name2-[(E)-2-chloroethenyl]sulfonylpropane
PubChem CID13198779
Molecular FormulaC5H9ClO2S
Molecular Weight168.65 g/mol
Exact Mass168.00
IUPAC Name2-[(E)-2-chloroethenyl]sulfonylpropane
SMILESCC(C)S(=O)(=O)/C=C/Cl
InChIInChI=1S/C5H9ClO2S/c1-5(2)9(7,8)4-3-6/h3-5H,1-2H3/b4-3+
InChIKeyDHYYPMWQHNXIQV-ONEGZZNKSA-N
XLogP1.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.65
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-chloroethenyl]sulfonylpropane?
The IUPAC name of 2-[(E)-2-chloroethenyl]sulfonylpropane (CID 13198779) is 2-[(E)-2-chloroethenyl]sulfonylpropane.
What is the SMILES notation for 2-[(E)-2-chloroethenyl]sulfonylpropane?
The canonical SMILES for 2-[(E)-2-chloroethenyl]sulfonylpropane is CC(C)S(=O)(=O)/C=C/Cl.
What is the InChIKey of 2-[(E)-2-chloroethenyl]sulfonylpropane?
The InChIKey is DHYYPMWQHNXIQV-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9ClO2S/c1-5(2)9(7,8)4-3-6/h3-5H,1-2H3/b4-3+.
What are the key properties of 2-[(E)-2-chloroethenyl]sulfonylpropane?
2-[(E)-2-chloroethenyl]sulfonylpropane has a molecular weight of 168.65 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-chloroethenyl]sulfonylpropane is sourced from PubChem (CID 13198779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).