[2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene

C23H22O2S — CID 71382071

IUPAC[2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene
SMILESC=CC(Cc1ccccc1)(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22O2S/c1-2-23(18-20-12-6-3-7-13-20,19-21-14-8-4-9-15-21)26(24,25)22-16-10-5-11-17-22/h2-17H,1,18-19H2
InChIKeyMPKPLBXSGWJBCL-UHFFFAOYSA-N
MW362.49 g/mol
LogP4.87
Rot. Bonds7

About [2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene

[2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene (PubChem CID 71382071) has the molecular formula C23H22O2S and a molecular weight of 362.49 g/mol. Its IUPAC name is [2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene.

Molecular Properties

Compound Name[2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene
PubChem CID71382071
Molecular FormulaC23H22O2S
Molecular Weight362.49 g/mol
Exact Mass362.13
IUPAC Name[2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene
SMILESC=CC(Cc1ccccc1)(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22O2S/c1-2-23(18-20-12-6-3-7-13-20,19-21-14-8-4-9-15-21)26(24,25)22-16-10-5-11-17-22/h2-17H,1,18-19H2
InChIKeyMPKPLBXSGWJBCL-UHFFFAOYSA-N
XLogP4.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 54.87
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-benzylpent-4-enyl]benzene
CID 102026449
2-(benzenesulfonyl)-2-benzyl-3-phenylpropanenitrile
CID 134094764
1-[3-(benzenesulfonyl)-3-benzyl-4-phenylbut-1-enyl]benzotriazole
CID 4593153
1-[3-(benzenesulfonyl)-3-[2-(4-methylphenyl)sulfonylethyl]pent-4-enyl]sulfonyl-4-methylbenzene
CID 11398689
[1-(benzenesulfonyl)-1-fluorobut-3-enyl]sulfonylbenzene
CID 141207433
2-(benzenesulfonyl)but-3-en-2-ylbenzene
CID 134900402
2-benzyl-2-ethenylpropanedinitrile
CID 54049686
2-benzyl-1-phenylbut-3-ene-2-thiol;hydrobromide
CID 173450691
2-benzyl-2-hydroxybut-3-enoic acid
CID 101385573
triiodomethylsulfonylbenzene
CID 22887646
benzene;tribromomethylsulfonylbenzene
CID 70302042
2-(benzenesulfonyl)pent-4-en-2-ylbenzene
CID 25111406

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene?
The IUPAC name of [2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene (CID 71382071) is [2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene.
What is the SMILES notation for [2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene?
The canonical SMILES for [2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene is C=CC(Cc1ccccc1)(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene?
The InChIKey is MPKPLBXSGWJBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2S/c1-2-23(18-20-12-6-3-7-13-20,19-21-14-8-4-9-15-21)26(24,25)22-16-10-5-11-17-22/h2-17H,1,18-19H2.
What are the key properties of [2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene?
[2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene has a molecular weight of 362.49 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)-2-benzylbut-3-enyl]benzene is sourced from PubChem (CID 71382071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).