1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene

C23H14Cl4F2O2S — CID 6148659

IUPAC1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene
SMILESO=S(=O)(c1cc(/C=C/c2ccc(Cl)cc2Cl)ccc1/C=C/c1ccc(Cl)cc1Cl)C(F)F
InChIInChI=1S/C23H14Cl4F2O2S/c24-18-9-7-15(20(26)12-18)3-1-14-2-4-17(22(11-14)32(30,31)23(28)29)6-5-16-8-10-19(25)13-21(16)27/h1-13,23H/b3-1+,6-5+
InChIKeyORKPJQNRYRBZCZ-GFSDNERASA-N
MW534.24 g/mol
LogP8.64
Rot. Bonds6

About 1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene

1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene (PubChem CID 6148659) has the molecular formula C23H14Cl4F2O2S and a molecular weight of 534.24 g/mol. Its IUPAC name is 1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene.

Molecular Properties

Compound Name1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene
PubChem CID6148659
Molecular FormulaC23H14Cl4F2O2S
Molecular Weight534.24 g/mol
Exact Mass531.94
IUPAC Name1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene
SMILESO=S(=O)(c1cc(/C=C/c2ccc(Cl)cc2Cl)ccc1/C=C/c1ccc(Cl)cc1Cl)C(F)F
InChIInChI=1S/C23H14Cl4F2O2S/c24-18-9-7-15(20(26)12-18)3-1-14-2-4-17(22(11-14)32(30,31)23(28)29)6-5-16-8-10-19(25)13-21(16)27/h1-13,23H/b3-1+,6-5+
InChIKeyORKPJQNRYRBZCZ-GFSDNERASA-N
XLogP8.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.24
LogP ≤ 58.64
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

1-[[3,5-Bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene
CID 2807770
1-(2,4-Dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene
CID 87132291
1,3-Dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene
CID 87132505
2-(2,4-Dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene
CID 87134557
1,4-Bis[2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene
CID 4555261
2,4-Dichloro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 47217445
1-[(2,4-Dichlorophenyl)methylsulfonyl]-2,4-difluorobenzene
CID 47218567
4-[(2,4-Dichlorophenyl)methylsulfonyl]-1,2-difluorobenzene
CID 47218620
2,4-Dichloro-1-[(2-fluorophenyl)sulfonylmethyl]benzene
CID 47218689
2,4-Dichloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene
CID 80032226
1-(2,4-Dichlorophenyl)-2-methylsulfinyl-4-(trifluoromethyl)benzene
CID 134118808
4-Benzyl-1-(4-chlorophenyl)-2-methylsulfonylbenzene
CID 57092602

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene?
The IUPAC name of 1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene (CID 6148659) is 1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene.
What is the SMILES notation for 1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene?
The canonical SMILES for 1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene is O=S(=O)(c1cc(/C=C/c2ccc(Cl)cc2Cl)ccc1/C=C/c1ccc(Cl)cc1Cl)C(F)F.
What is the InChIKey of 1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene?
The InChIKey is ORKPJQNRYRBZCZ-GFSDNERASA-N. The full InChI is InChI=1S/C23H14Cl4F2O2S/c24-18-9-7-15(20(26)12-18)3-1-14-2-4-17(22(11-14)32(30,31)23(28)29)6-5-16-8-10-19(25)13-21(16)27/h1-13,23H/b3-1+,6-5+.
What are the key properties of 1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene?
1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene has a molecular weight of 534.24 g/mol, XLogP of 8.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(difluoromethylsulfonyl)benzene is sourced from PubChem (CID 6148659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).