1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene

C20H14ClFO2S — CID 134875877

IUPAC1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene
SMILESO=S(=O)(/C(F)=C(\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H14ClFO2S/c21-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)20(22)25(23,24)18-9-5-2-6-10-18/h1-14H/b20-19+
InChIKeyWCYWLGYRMISIKF-FMQUCBEESA-N
MW372.85 g/mol
LogP5.50
Rot. Bonds4

About 1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene

1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene (PubChem CID 134875877) has the molecular formula C20H14ClFO2S and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene
PubChem CID134875877
Molecular FormulaC20H14ClFO2S
Molecular Weight372.85 g/mol
Exact Mass372.04
IUPAC Name1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene
SMILESO=S(=O)(/C(F)=C(\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H14ClFO2S/c21-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)20(22)25(23,24)18-9-5-2-6-10-18/h1-14H/b20-19+
InChIKeyWCYWLGYRMISIKF-FMQUCBEESA-N
XLogP5.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.85
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene?
The IUPAC name of 1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene (CID 134875877) is 1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene?
The canonical SMILES for 1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene is O=S(=O)(/C(F)=C(\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene?
The InChIKey is WCYWLGYRMISIKF-FMQUCBEESA-N. The full InChI is InChI=1S/C20H14ClFO2S/c21-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)20(22)25(23,24)18-9-5-2-6-10-18/h1-14H/b20-19+.
What are the key properties of 1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene?
1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene has a molecular weight of 372.85 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(benzenesulfonyl)-2-fluoro-1-phenylethenyl]-4-chlorobenzene is sourced from PubChem (CID 134875877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).