2-(benzenesulfonyl)pent-4-en-2-ylbenzene

C17H18O2S — CID 25111406

IUPAC2-(benzenesulfonyl)pent-4-en-2-ylbenzene
SMILESC=CCC(C)(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18O2S/c1-3-14-17(2,15-10-6-4-7-11-15)20(18,19)16-12-8-5-9-13-16/h3-13H,1,14H2,2H3
InChIKeyFTWWHWHILFIVCG-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.95
Rot. Bonds5

About 2-(benzenesulfonyl)pent-4-en-2-ylbenzene

2-(benzenesulfonyl)pent-4-en-2-ylbenzene (PubChem CID 25111406) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(benzenesulfonyl)pent-4-en-2-ylbenzene.

Molecular Properties

Compound Name2-(benzenesulfonyl)pent-4-en-2-ylbenzene
PubChem CID25111406
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name2-(benzenesulfonyl)pent-4-en-2-ylbenzene
SMILESC=CCC(C)(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18O2S/c1-3-14-17(2,15-10-6-4-7-11-15)20(18,19)16-12-8-5-9-13-16/h3-13H,1,14H2,2H3
InChIKeyFTWWHWHILFIVCG-UHFFFAOYSA-N
XLogP3.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.95
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)-1-fluorobut-3-enyl]sulfonylbenzene
CID 141207433
2,6-bis(benzenesulfonyl)-2,6-diphenylheptan-4-one
CID 174469215
2-(benzenesulfonyl)but-3-en-2-ylbenzene
CID 134900402
3-[1,1-bis(benzenesulfonyl)but-3-enyl]pyridine
CID 86034607
[2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene
CID 102026449
N-ethyl-N-methyl-2-phenylpent-4-en-2-amine
CID 174778712
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935
1-(1-isocyano-1-phenylbut-3-enyl)sulfonyl-4-methylbenzene
CID 22216449
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide
CID 102043544
4-phenylhepta-1,6-diene-4-sulfonamide
CID 174876491
benzene;tribromomethylsulfonylbenzene
CID 70302042

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)pent-4-en-2-ylbenzene?
The IUPAC name of 2-(benzenesulfonyl)pent-4-en-2-ylbenzene (CID 25111406) is 2-(benzenesulfonyl)pent-4-en-2-ylbenzene.
What is the SMILES notation for 2-(benzenesulfonyl)pent-4-en-2-ylbenzene?
The canonical SMILES for 2-(benzenesulfonyl)pent-4-en-2-ylbenzene is C=CCC(C)(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)pent-4-en-2-ylbenzene?
The InChIKey is FTWWHWHILFIVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-3-14-17(2,15-10-6-4-7-11-15)20(18,19)16-12-8-5-9-13-16/h3-13H,1,14H2,2H3.
What are the key properties of 2-(benzenesulfonyl)pent-4-en-2-ylbenzene?
2-(benzenesulfonyl)pent-4-en-2-ylbenzene has a molecular weight of 286.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)pent-4-en-2-ylbenzene is sourced from PubChem (CID 25111406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).