[(Z)-pent-3-en-2-yl]sulfonylbenzene

C11H14O2S — CID 146400079

IUPAC[(Z)-pent-3-en-2-yl]sulfonylbenzene
SMILESC/C=C\C(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14O2S/c1-3-7-10(2)14(12,13)11-8-5-4-6-9-11/h3-10H,1-2H3/b7-3-
InChIKeySNBHMMNTYVQMGL-CLTKARDFSA-N
MW210.30 g/mol
LogP2.42
Rot. Bonds3

About [(Z)-pent-3-en-2-yl]sulfonylbenzene

[(Z)-pent-3-en-2-yl]sulfonylbenzene (PubChem CID 146400079) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is [(Z)-pent-3-en-2-yl]sulfonylbenzene.

Molecular Properties

Compound Name[(Z)-pent-3-en-2-yl]sulfonylbenzene
PubChem CID146400079
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name[(Z)-pent-3-en-2-yl]sulfonylbenzene
SMILESC/C=C\C(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14O2S/c1-3-7-10(2)14(12,13)11-8-5-4-6-9-11/h3-10H,1-2H3/b7-3-
InChIKeySNBHMMNTYVQMGL-CLTKARDFSA-N
XLogP2.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.42
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

Diphenyl sulfone
CID 31386
Fluoresone
CID 71814
Methyl phenyl sulfone
CID 18369
Diphenyl sulfoxide
CID 13679
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
1,1'-(1,2-Ethanediylbis(sulfonyl))bis(benzene)
CID 69036
Phenylsulphonylacetonitrile
CID 82077
Acrylonitrile, 3-(phenylsulfonyl)-
CID 1711930
(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl Vinyl Sulfide
CID 74572
Phenyl vinyl sulfone
CID 79664
(Ethylthio)benzene
CID 12144

Frequently Asked Questions

What is the IUPAC name of [(Z)-pent-3-en-2-yl]sulfonylbenzene?
The IUPAC name of [(Z)-pent-3-en-2-yl]sulfonylbenzene (CID 146400079) is [(Z)-pent-3-en-2-yl]sulfonylbenzene.
What is the SMILES notation for [(Z)-pent-3-en-2-yl]sulfonylbenzene?
The canonical SMILES for [(Z)-pent-3-en-2-yl]sulfonylbenzene is C/C=C\C(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(Z)-pent-3-en-2-yl]sulfonylbenzene?
The InChIKey is SNBHMMNTYVQMGL-CLTKARDFSA-N. The full InChI is InChI=1S/C11H14O2S/c1-3-7-10(2)14(12,13)11-8-5-4-6-9-11/h3-10H,1-2H3/b7-3-.
What are the key properties of [(Z)-pent-3-en-2-yl]sulfonylbenzene?
[(Z)-pent-3-en-2-yl]sulfonylbenzene has a molecular weight of 210.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pent-3-en-2-yl]sulfonylbenzene is sourced from PubChem (CID 146400079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).