[2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene

C24H24O2S — CID 102026449

IUPAC[2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene
SMILESC=CCC(Cc1ccccc1)(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24O2S/c1-2-18-24(19-21-12-6-3-7-13-21,20-22-14-8-4-9-15-22)27(25,26)23-16-10-5-11-17-23/h2-17H,1,18-20H2
InChIKeyVFJUSQBSXAJECT-UHFFFAOYSA-N
MW376.52 g/mol
LogP5.26
Rot. Bonds8

About [2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene

[2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene (PubChem CID 102026449) has the molecular formula C24H24O2S and a molecular weight of 376.52 g/mol. Its IUPAC name is [2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene.

Molecular Properties

Compound Name[2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene
PubChem CID102026449
Molecular FormulaC24H24O2S
Molecular Weight376.52 g/mol
Exact Mass376.15
IUPAC Name[2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene
SMILESC=CCC(Cc1ccccc1)(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24O2S/c1-2-18-24(19-21-12-6-3-7-13-21,20-22-14-8-4-9-15-22)27(25,26)23-16-10-5-11-17-23/h2-17H,1,18-20H2
InChIKeyVFJUSQBSXAJECT-UHFFFAOYSA-N
XLogP5.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 55.26
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

[2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene
CID 71382071
[1-(benzenesulfonyl)-1-fluorobut-3-enyl]sulfonylbenzene
CID 141207433
2-(benzenesulfonyl)pent-4-en-2-ylbenzene
CID 25111406
2-(benzenesulfonyl)-2-benzyl-3-phenylpropanenitrile
CID 134094764
4-benzylhepta-1,6-dien-4-amine
CID 15310873
3-[1,1-bis(benzenesulfonyl)but-3-enyl]pyridine
CID 86034607
3-benzyl-3-prop-2-enylpentane-2,4-dione
CID 154723587
(2R)-2-amino-2-benzylpent-4-enamide
CID 135080853
3-benzyl-3-ethenylhex-5-en-2-one
CID 101401737
2-benzyl-1,1,1-trifluoropent-4-en-2-ol
CID 14764222
N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide
CID 69095347
calcium;benzenesulfonic acid;hydride;prop-2-enylbenzene
CID 174326701

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene?
The IUPAC name of [2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene (CID 102026449) is [2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene.
What is the SMILES notation for [2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene?
The canonical SMILES for [2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene is C=CCC(Cc1ccccc1)(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene?
The InChIKey is VFJUSQBSXAJECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2S/c1-2-18-24(19-21-12-6-3-7-13-21,20-22-14-8-4-9-15-22)27(25,26)23-16-10-5-11-17-23/h2-17H,1,18-20H2.
What are the key properties of [2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene?
[2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene has a molecular weight of 376.52 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)-2-benzylpent-4-enyl]benzene is sourced from PubChem (CID 102026449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).