1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene

C24H12Cl4F2O2S — CID 87132505

IUPAC1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene
SMILESO=S(=O)(c1ccc(F)cc1-c1c(Cl)cccc1Cl)c1ccc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C24H12Cl4F2O2S/c25-17-3-1-4-18(26)23(17)15-11-13(29)7-9-21(15)33(31,32)22-10-8-14(30)12-16(22)24-19(27)5-2-6-20(24)28/h1-12H
InChIKeyJGGANIMBSUVQLA-UHFFFAOYSA-N
MW544.23 g/mol
LogP8.75
Rot. Bonds4

About 1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene

1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene (PubChem CID 87132505) has the molecular formula C24H12Cl4F2O2S and a molecular weight of 544.23 g/mol. Its IUPAC name is 1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene
PubChem CID87132505
Molecular FormulaC24H12Cl4F2O2S
Molecular Weight544.23 g/mol
Exact Mass541.93
IUPAC Name1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene
SMILESO=S(=O)(c1ccc(F)cc1-c1c(Cl)cccc1Cl)c1ccc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C24H12Cl4F2O2S/c25-17-3-1-4-18(26)23(17)15-11-13(29)7-9-21(15)33(31,32)22-10-8-14(30)12-16(22)24-19(27)5-2-6-20(24)28/h1-12H
InChIKeyJGGANIMBSUVQLA-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 1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene?
The IUPAC name of 1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene (CID 87132505) is 1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene is O=S(=O)(c1ccc(F)cc1-c1c(Cl)cccc1Cl)c1ccc(F)cc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene?
The InChIKey is JGGANIMBSUVQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Cl4F2O2S/c25-17-3-1-4-18(26)23(17)15-11-13(29)7-9-21(15)33(31,32)22-10-8-14(30)12-16(22)24-19(27)5-2-6-20(24)28/h1-12H.
What are the key properties of 1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene?
1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene 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 1,3-dichloro-2-[2-[2-(2,6-dichlorophenyl)-4-fluorophenyl]sulfonyl-5-fluorophenyl]benzene is sourced from PubChem (CID 87132505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).