1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene

C24H12Cl4F2O2S — CID 87132291

IUPAC1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene
SMILESO=S(=O)(c1cccc(-c2ccc(Cl)cc2Cl)c1F)c1cccc(-c2ccc(Cl)cc2Cl)c1F
InChIInChI=1S/C24H12Cl4F2O2S/c25-13-7-9-15(19(27)11-13)17-3-1-5-21(23(17)29)33(31,32)22-6-2-4-18(24(22)30)16-10-8-14(26)12-20(16)28/h1-12H
InChIKeyRGOCEWHEVIBRJE-UHFFFAOYSA-N
MW544.23 g/mol
LogP8.75
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene

1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene (PubChem CID 87132291) has the molecular formula C24H12Cl4F2O2S and a molecular weight of 544.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene
PubChem CID87132291
Molecular FormulaC24H12Cl4F2O2S
Molecular Weight544.23 g/mol
Exact Mass541.93
IUPAC Name1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene
SMILESO=S(=O)(c1cccc(-c2ccc(Cl)cc2Cl)c1F)c1cccc(-c2ccc(Cl)cc2Cl)c1F
InChIInChI=1S/C24H12Cl4F2O2S/c25-13-7-9-15(19(27)11-13)17-3-1-5-21(23(17)29)33(31,32)22-6-2-4-18(24(22)30)16-10-8-14(26)12-20(16)28/h1-12H
InChIKeyRGOCEWHEVIBRJE-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 1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene (CID 87132291) is 1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene is O=S(=O)(c1cccc(-c2ccc(Cl)cc2Cl)c1F)c1cccc(-c2ccc(Cl)cc2Cl)c1F.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene?
The InChIKey is RGOCEWHEVIBRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Cl4F2O2S/c25-13-7-9-15(19(27)11-13)17-3-1-5-21(23(17)29)33(31,32)22-6-2-4-18(24(22)30)16-10-8-14(26)12-20(16)28/h1-12H.
What are the key properties of 1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene?
1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-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 1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene is sourced from PubChem (CID 87132291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).