1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene

C20H14F2O2S — CID 16739334

IUPAC1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene
SMILESO=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H14F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-14H/b9-6+
InChIKeyQNZBVIYOTZMPOA-RMKNXTFCSA-N
MW356.39 g/mol
LogP4.97
Rot. Bonds4

About 1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene

1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene (PubChem CID 16739334) has the molecular formula C20H14F2O2S and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene
PubChem CID16739334
Molecular FormulaC20H14F2O2S
Molecular Weight356.39 g/mol
Exact Mass356.07
IUPAC Name1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene
SMILESO=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H14F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-14H/b9-6+
InChIKeyQNZBVIYOTZMPOA-RMKNXTFCSA-N
XLogP4.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

SC-57666
CID 443373
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
(4-Methylphenyl){3-[(4-methylphenyl)sulfonyl]propyl}dioxo-lambda~6~-sulfane
CID 1483198
1-[2-(4-Fluorophenyl)-4,4-dimethyl-1-cyclopentenyl]-4-methylsulfonylbenzene
CID 9841079
1-(4-Fluorophenyl)-2-[4-(methylsulfonyl)phenyl]benzene
CID 9905412
1-Fluoro-4-[2-(4-methylsulfonylphenyl)-4,4-di(trifluoromethyl)-1-cyclopentenyl]benzene
CID 10095369
1-[4,4-Di(fluoromethyl)-2-(4-methylsulfonylphenyl)-1-cyclopentenyl]-4-fluorobenzene
CID 10339727
1,2-Difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene
CID 10546567

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene?
The IUPAC name of 1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene (CID 16739334) is 1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene is O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene?
The InChIKey is QNZBVIYOTZMPOA-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H14F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-14H/b9-6+.
What are the key properties of 1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene?
1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene has a molecular weight of 356.39 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-(benzenesulfonyl)phenyl]ethenyl]-2,4-difluorobenzene is sourced from PubChem (CID 16739334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).