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

C24H14Cl2F2O2S — CID 68645850

IUPAC2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene
SMILESO=S(=O)(c1ccc(F)cc1-c1cccc(Cl)c1)c1ccc(F)cc1-c1cccc(Cl)c1
InChIInChI=1S/C24H14Cl2F2O2S/c25-17-5-1-3-15(11-17)21-13-19(27)7-9-23(21)31(29,30)24-10-8-20(28)14-22(24)16-4-2-6-18(26)12-16/h1-14H
InChIKeyIFAPJGDIBSEZCU-UHFFFAOYSA-N
MW475.34 g/mol
LogP7.44
Rot. Bonds4

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

2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene (PubChem CID 68645850) has the molecular formula C24H14Cl2F2O2S and a molecular weight of 475.34 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene
PubChem CID68645850
Molecular FormulaC24H14Cl2F2O2S
Molecular Weight475.34 g/mol
Exact Mass474.01
IUPAC Name2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene
SMILESO=S(=O)(c1ccc(F)cc1-c1cccc(Cl)c1)c1ccc(F)cc1-c1cccc(Cl)c1
InChIInChI=1S/C24H14Cl2F2O2S/c25-17-5-1-3-15(11-17)21-13-19(27)7-9-23(21)31(29,30)24-10-8-20(28)14-22(24)16-4-2-6-18(26)12-16/h1-14H
InChIKeyIFAPJGDIBSEZCU-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 2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene (CID 68645850) is 2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene is O=S(=O)(c1ccc(F)cc1-c1cccc(Cl)c1)c1ccc(F)cc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene?
The InChIKey is IFAPJGDIBSEZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F2O2S/c25-17-5-1-3-15(11-17)21-13-19(27)7-9-23(21)31(29,30)24-10-8-20(28)14-22(24)16-4-2-6-18(26)12-16/h1-14H.
What are the key properties of 2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene?
2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene 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 2-(3-chlorophenyl)-1-[2-(3-chlorophenyl)-4-fluorophenyl]sulfonyl-4-fluorobenzene is sourced from PubChem (CID 68645850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).