(1-ethenylcyclobutyl)sulfonylbenzene

C12H14O2S — CID 13446884

IUPAC(1-ethenylcyclobutyl)sulfonylbenzene
SMILESC=CC1(S(=O)(=O)c2ccccc2)CCC1
InChIInChI=1S/C12H14O2S/c1-2-12(9-6-10-12)15(13,14)11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2
InChIKeyUWNKILKPCWKXLN-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.57
Rot. Bonds3

About (1-ethenylcyclobutyl)sulfonylbenzene

(1-ethenylcyclobutyl)sulfonylbenzene (PubChem CID 13446884) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is (1-ethenylcyclobutyl)sulfonylbenzene.

Molecular Properties

Compound Name(1-ethenylcyclobutyl)sulfonylbenzene
PubChem CID13446884
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name(1-ethenylcyclobutyl)sulfonylbenzene
SMILESC=CC1(S(=O)(=O)c2ccccc2)CCC1
InChIInChI=1S/C12H14O2S/c1-2-12(9-6-10-12)15(13,14)11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2
InChIKeyUWNKILKPCWKXLN-UHFFFAOYSA-N
XLogP2.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.57
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

[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene
CID 1380165
1-(benzenesulfonyl)cyclopropan-1-ol
CID 24799052
1-[1-(benzenesulfonyl)cyclobutyl]ethanone
CID 115042670
(1S,2R,3S)-3-(benzenesulfonyl)-3-ethenyl-1-methyl-2-(2-phenylethyl)cyclohexan-1-ol
CID 102421455
cis-(1R,2S)-2-(benzenesulfonyl)-1,2-dimethylcyclohexan-1-ol
CID 899860
(113C)ethenylsulfonylbenzene
CID 66995821
(1S,2S,5R,6R)-1,2-bis(benzenesulfonyl)tricyclo[4.2.0.02,5]octane
CID 11090383
(1-ethylcyclopropyl)sulfonylbenzene
CID 70894852
cerium;prop-2-enyl benzenesulfonate
CID 174496226
[(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene
CID 102329624
(1E)-1,3,3-tris(benzenesulfonyl)-8-methylidenecyclooctene
CID 15758915
(1S,2S,3R)-3-(benzenesulfonyl)-3-ethenyl-1-methyl-2-(2-phenylethyl)cyclopentan-1-ol
CID 102421456

Frequently Asked Questions

What is the IUPAC name of (1-ethenylcyclobutyl)sulfonylbenzene?
The IUPAC name of (1-ethenylcyclobutyl)sulfonylbenzene (CID 13446884) is (1-ethenylcyclobutyl)sulfonylbenzene.
What is the SMILES notation for (1-ethenylcyclobutyl)sulfonylbenzene?
The canonical SMILES for (1-ethenylcyclobutyl)sulfonylbenzene is C=CC1(S(=O)(=O)c2ccccc2)CCC1.
What is the InChIKey of (1-ethenylcyclobutyl)sulfonylbenzene?
The InChIKey is UWNKILKPCWKXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-2-12(9-6-10-12)15(13,14)11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2.
What are the key properties of (1-ethenylcyclobutyl)sulfonylbenzene?
(1-ethenylcyclobutyl)sulfonylbenzene has a molecular weight of 222.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylcyclobutyl)sulfonylbenzene is sourced from PubChem (CID 13446884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).