[ethenylsulfonyl(diphenyl)methyl]benzene

C21H18O2S — CID 18788028

IUPAC[ethenylsulfonyl(diphenyl)methyl]benzene
SMILESC=CS(=O)(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18O2S/c1-2-24(22,23)21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2
InChIKeyIVDNGAWMUPNUHD-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.54
Rot. Bonds5

About [ethenylsulfonyl(diphenyl)methyl]benzene

[ethenylsulfonyl(diphenyl)methyl]benzene (PubChem CID 18788028) has the molecular formula C21H18O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is [ethenylsulfonyl(diphenyl)methyl]benzene.

Molecular Properties

Compound Name[ethenylsulfonyl(diphenyl)methyl]benzene
PubChem CID18788028
Molecular FormulaC21H18O2S
Molecular Weight334.44 g/mol
Exact Mass334.10
IUPAC Name[ethenylsulfonyl(diphenyl)methyl]benzene
SMILESC=CS(=O)(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18O2S/c1-2-24(22,23)21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2
InChIKeyIVDNGAWMUPNUHD-UHFFFAOYSA-N
XLogP4.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(113C)ethenylsulfonylbenzene
CID 66995821
1,1,2-trihydroxy-2-phenylbut-3-ene-1-sulfonic acid
CID 54425861
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935
4-phenylhepta-1,6-diene-4-sulfonamide
CID 174876491
2-(benzenesulfonyl)but-3-en-2-ylbenzene
CID 134900402
ethenylsulfonyl(phenyl)methanamine
CID 154324940
sulfuryl dichloride;tritylbenzene
CID 174476389
benzenesulfonic acid;ethenamine
CID 175283513
ethenylsulfonylmethyl(113C)cyclohexatriene
CID 67499319
CID 135081440
CID 135081440
1,1-dichloroprop-2-enylbenzene
CID 23350286
(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene
CID 166095951

Frequently Asked Questions

What is the IUPAC name of [ethenylsulfonyl(diphenyl)methyl]benzene?
The IUPAC name of [ethenylsulfonyl(diphenyl)methyl]benzene (CID 18788028) is [ethenylsulfonyl(diphenyl)methyl]benzene.
What is the SMILES notation for [ethenylsulfonyl(diphenyl)methyl]benzene?
The canonical SMILES for [ethenylsulfonyl(diphenyl)methyl]benzene is C=CS(=O)(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [ethenylsulfonyl(diphenyl)methyl]benzene?
The InChIKey is IVDNGAWMUPNUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2S/c1-2-24(22,23)21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2.
What are the key properties of [ethenylsulfonyl(diphenyl)methyl]benzene?
[ethenylsulfonyl(diphenyl)methyl]benzene has a molecular weight of 334.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenylsulfonyl(diphenyl)methyl]benzene is sourced from PubChem (CID 18788028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).