[(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene

C21H18O2S — CID 11131441

IUPAC[(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene
SMILESO=S(=O)(c1ccccc1)C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18O2S/c22-24(23,20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)17-16-18-10-4-1-5-11-18/h1-17,21H/b17-16+
InChIKeyOJHTXKLQNCMMDE-WUKNDPDISA-N
MW334.44 g/mol
LogP4.91
Rot. Bonds5

About [(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene

[(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene (PubChem CID 11131441) has the molecular formula C21H18O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is [(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene
PubChem CID11131441
Molecular FormulaC21H18O2S
Molecular Weight334.44 g/mol
Exact Mass334.10
IUPAC Name[(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene
SMILESO=S(=O)(c1ccccc1)C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18O2S/c22-24(23,20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)17-16-18-10-4-1-5-11-18/h1-17,21H/b17-16+
InChIKeyOJHTXKLQNCMMDE-WUKNDPDISA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene?
The IUPAC name of [(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene (CID 11131441) is [(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene?
The canonical SMILES for [(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene is O=S(=O)(c1ccccc1)C(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene?
The InChIKey is OJHTXKLQNCMMDE-WUKNDPDISA-N. The full InChI is InChI=1S/C21H18O2S/c22-24(23,20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)17-16-18-10-4-1-5-11-18/h1-17,21H/b17-16+.
What are the key properties of [(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene?
[(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene has a molecular weight of 334.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(benzenesulfonyl)-3-phenylprop-1-enyl]benzene is sourced from PubChem (CID 11131441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).