3-cyclobutylprop-2-ene-1-sulfonyl chloride

C7H11ClO2S — CID 174764289

IUPAC3-cyclobutylprop-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC=CC1CCC1
InChIInChI=1S/C7H11ClO2S/c8-11(9,10)6-2-5-7-3-1-4-7/h2,5,7H,1,3-4,6H2
InChIKeyCCGPGQAARGNHFS-UHFFFAOYSA-N
MW194.68 g/mol
LogP1.91
Rot. Bonds3

About 3-cyclobutylprop-2-ene-1-sulfonyl chloride

3-cyclobutylprop-2-ene-1-sulfonyl chloride (PubChem CID 174764289) has the molecular formula C7H11ClO2S and a molecular weight of 194.68 g/mol. Its IUPAC name is 3-cyclobutylprop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name3-cyclobutylprop-2-ene-1-sulfonyl chloride
PubChem CID174764289
Molecular FormulaC7H11ClO2S
Molecular Weight194.68 g/mol
Exact Mass194.02
IUPAC Name3-cyclobutylprop-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC=CC1CCC1
InChIInChI=1S/C7H11ClO2S/c8-11(9,10)6-2-5-7-3-1-4-7/h2,5,7H,1,3-4,6H2
InChIKeyCCGPGQAARGNHFS-UHFFFAOYSA-N
XLogP1.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.68
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride
CID 55279350
Hept-5-ene-1-sulfonyl chloride
CID 123578706
(Cyclohex-3-en-1-yl)methanesulfonyl chloride
CID 124011930
4-Methylcyclohex-2-ene-1-sulfonyl chloride
CID 132226507
Sodium 3-ethenylcyclobutane-1-sulfinate
CID 162455886
(E,2S)-2-methylhex-4-ene-1-sulfonyl chloride
CID 169599199
3-Cyclopropylprop-2-ene-1-sulfonyl chloride
CID 174435965
Cyclopent-2-en-1-ylmethanesulfonyl chloride
CID 105439148
(Cyclopent-3-en-1-yl)methanesulfonyl chloride
CID 105439149
2-Cyclobutylideneethanesulfonyl chloride
CID 115015795
(E)-3-cyclopropylprop-2-ene-1-sulfonyl chloride
CID 115015796
(E)-3-cyclobutylprop-2-ene-1-sulfonyl chloride
CID 115020109

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutylprop-2-ene-1-sulfonyl chloride?
The IUPAC name of 3-cyclobutylprop-2-ene-1-sulfonyl chloride (CID 174764289) is 3-cyclobutylprop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for 3-cyclobutylprop-2-ene-1-sulfonyl chloride?
The canonical SMILES for 3-cyclobutylprop-2-ene-1-sulfonyl chloride is O=S(=O)(Cl)CC=CC1CCC1.
What is the InChIKey of 3-cyclobutylprop-2-ene-1-sulfonyl chloride?
The InChIKey is CCGPGQAARGNHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2S/c8-11(9,10)6-2-5-7-3-1-4-7/h2,5,7H,1,3-4,6H2.
What are the key properties of 3-cyclobutylprop-2-ene-1-sulfonyl chloride?
3-cyclobutylprop-2-ene-1-sulfonyl chloride has a molecular weight of 194.68 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylprop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 174764289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).