4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene

C24H14Cl2F2O2S — CID 22023802

IUPAC4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene
SMILESO=S(=O)(c1ccc(Cl)cc1-c1ccc(F)cc1)c1ccc(Cl)cc1-c1ccc(F)cc1
InChIInChI=1S/C24H14Cl2F2O2S/c25-17-5-11-23(21(13-17)15-1-7-19(27)8-2-15)31(29,30)24-12-6-18(26)14-22(24)16-3-9-20(28)10-4-16/h1-14H
InChIKeyHQPGWPAOEAEYAO-UHFFFAOYSA-N
MW475.34 g/mol
LogP7.44
Rot. Bonds4

About 4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene

4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene (PubChem CID 22023802) has the molecular formula C24H14Cl2F2O2S and a molecular weight of 475.34 g/mol. Its IUPAC name is 4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene
PubChem CID22023802
Molecular FormulaC24H14Cl2F2O2S
Molecular Weight475.34 g/mol
Exact Mass474.01
IUPAC Name4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene
SMILESO=S(=O)(c1ccc(Cl)cc1-c1ccc(F)cc1)c1ccc(Cl)cc1-c1ccc(F)cc1
InChIInChI=1S/C24H14Cl2F2O2S/c25-17-5-11-23(21(13-17)15-1-7-19(27)8-2-15)31(29,30)24-12-6-18(26)14-22(24)16-3-9-20(28)10-4-16/h1-14H
InChIKeyHQPGWPAOEAEYAO-UHFFFAOYSA-N
XLogP7.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.34
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene?
The IUPAC name of 4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene (CID 22023802) is 4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene.
What is the SMILES notation for 4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene?
The canonical SMILES for 4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene is O=S(=O)(c1ccc(Cl)cc1-c1ccc(F)cc1)c1ccc(Cl)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene?
The InChIKey is HQPGWPAOEAEYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F2O2S/c25-17-5-11-23(21(13-17)15-1-7-19(27)8-2-15)31(29,30)24-12-6-18(26)14-22(24)16-3-9-20(28)10-4-16/h1-14H.
What are the key properties of 4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene?
4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene has a molecular weight of 475.34 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[4-chloro-2-(4-fluorophenyl)phenyl]sulfonyl-2-(4-fluorophenyl)benzene is sourced from PubChem (CID 22023802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).