1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene

C24H20F2O4S2 — CID 5388092

IUPAC1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene
SMILESO=S(=O)(/C=C/c1ccc(F)cc1)Cc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20F2O4S2/c25-23-9-5-19(6-10-23)13-15-31(27,28)17-21-1-2-22(4-3-21)18-32(29,30)16-14-20-7-11-24(26)12-8-20/h1-16H,17-18H2/b15-13+,16-14+
InChIKeyKHIKAWPBFCLNAD-WXUKJITCSA-N
MW474.55 g/mol
LogP5.14
Rot. Bonds8

About 1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene

1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene (PubChem CID 5388092) has the molecular formula C24H20F2O4S2 and a molecular weight of 474.55 g/mol. Its IUPAC name is 1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene.

Molecular Properties

Compound Name1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene
PubChem CID5388092
Molecular FormulaC24H20F2O4S2
Molecular Weight474.55 g/mol
Exact Mass474.08
IUPAC Name1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene
SMILESO=S(=O)(/C=C/c1ccc(F)cc1)Cc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20F2O4S2/c25-23-9-5-19(6-10-23)13-15-31(27,28)17-21-1-2-22(4-3-21)18-32(29,30)16-14-20-7-11-24(26)12-8-20/h1-16H,17-18H2/b15-13+,16-14+
InChIKeyKHIKAWPBFCLNAD-WXUKJITCSA-N
XLogP5.14
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.55
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene
CID 14087488
1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
CID 54452495
1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
CID 54262996
3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan
CID 173247017
2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
CID 173204022
1-bromo-4-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylmethyl]benzene
CID 91375961
1-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylmethyl]-4-(trifluoromethyl)benzene
CID 22065308
1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene
CID 13164860
(E)-2-(4-fluorophenyl)ethenesulfonamide
CID 22750880
4-[(E)-2-[(4-iodophenyl)methylsulfonyl]ethenyl]benzoic acid
CID 11258895
1,3,5-trifluoro-2-[2-[(4-methylphenyl)methylsulfonyl]ethenyl]benzene
CID 91462317
1,2,3,4,5-pentafluoro-6-[2-[(4-iodophenyl)methylsulfonyl]ethenyl]benzene
CID 85326572

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene?
The IUPAC name of 1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene (CID 5388092) is 1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene.
What is the SMILES notation for 1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene?
The canonical SMILES for 1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene is O=S(=O)(/C=C/c1ccc(F)cc1)Cc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene?
The InChIKey is KHIKAWPBFCLNAD-WXUKJITCSA-N. The full InChI is InChI=1S/C24H20F2O4S2/c25-23-9-5-19(6-10-23)13-15-31(27,28)17-21-1-2-22(4-3-21)18-32(29,30)16-14-20-7-11-24(26)12-8-20/h1-16H,17-18H2/b15-13+,16-14+.
What are the key properties of 1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene?
1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene has a molecular weight of 474.55 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene is sourced from PubChem (CID 5388092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).