2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene

C24H12Cl4F2O2S — CID 87134557

IUPAC2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene
SMILESO=S(=O)(c1ccc(F)cc1-c1ccc(Cl)cc1Cl)c1ccc(F)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H12Cl4F2O2S/c25-13-1-5-17(21(27)9-13)19-11-15(29)3-7-23(19)33(31,32)24-8-4-16(30)12-20(24)18-6-2-14(26)10-22(18)28/h1-12H
InChIKeyFVDQPDPZPVXLRY-UHFFFAOYSA-N
MW544.23 g/mol
LogP8.75
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene

2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene (PubChem CID 87134557) has the molecular formula C24H12Cl4F2O2S and a molecular weight of 544.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene
PubChem CID87134557
Molecular FormulaC24H12Cl4F2O2S
Molecular Weight544.23 g/mol
Exact Mass541.93
IUPAC Name2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene
SMILESO=S(=O)(c1ccc(F)cc1-c1ccc(Cl)cc1Cl)c1ccc(F)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H12Cl4F2O2S/c25-13-1-5-17(21(27)9-13)19-11-15(29)3-7-23(19)33(31,32)24-8-4-16(30)12-20(24)18-6-2-14(26)10-22(18)28/h1-12H
InChIKeyFVDQPDPZPVXLRY-UHFFFAOYSA-N
XLogP8.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.23
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene (CID 87134557) is 2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene is O=S(=O)(c1ccc(F)cc1-c1ccc(Cl)cc1Cl)c1ccc(F)cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene?
The InChIKey is FVDQPDPZPVXLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Cl4F2O2S/c25-13-1-5-17(21(27)9-13)19-11-15(29)3-7-23(19)33(31,32)24-8-4-16(30)12-20(24)18-6-2-14(26)10-22(18)28/h1-12H.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene?
2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene has a molecular weight of 544.23 g/mol, XLogP of 8.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene is sourced from PubChem (CID 87134557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).