1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene

C24H14Cl4O2S — CID 139890496

IUPAC1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene
SMILESO=S(=O)(c1ccccc1-c1cccc(Cl)c1Cl)c1ccccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C24H14Cl4O2S/c25-19-11-5-9-17(23(19)27)15-7-1-3-13-21(15)31(29,30)22-14-4-2-8-16(22)18-10-6-12-20(26)24(18)28/h1-14H
InChIKeyLSTWPDSOTGGFJB-UHFFFAOYSA-N
MW508.25 g/mol
LogP8.47
Rot. Bonds4

About 1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene

1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene (PubChem CID 139890496) has the molecular formula C24H14Cl4O2S and a molecular weight of 508.25 g/mol. Its IUPAC name is 1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene
PubChem CID139890496
Molecular FormulaC24H14Cl4O2S
Molecular Weight508.25 g/mol
Exact Mass505.95
IUPAC Name1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene
SMILESO=S(=O)(c1ccccc1-c1cccc(Cl)c1Cl)c1ccccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C24H14Cl4O2S/c25-19-11-5-9-17(23(19)27)15-7-1-3-13-21(15)31(29,30)22-14-4-2-8-16(22)18-10-6-12-20(26)24(18)28/h1-14H
InChIKeyLSTWPDSOTGGFJB-UHFFFAOYSA-N
XLogP8.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.25
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene?
The IUPAC name of 1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene (CID 139890496) is 1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene is O=S(=O)(c1ccccc1-c1cccc(Cl)c1Cl)c1ccccc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene?
The InChIKey is LSTWPDSOTGGFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl4O2S/c25-19-11-5-9-17(23(19)27)15-7-1-3-13-21(15)31(29,30)22-14-4-2-8-16(22)18-10-6-12-20(26)24(18)28/h1-14H.
What are the key properties of 1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene?
1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene has a molecular weight of 508.25 g/mol, XLogP of 8.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene is sourced from PubChem (CID 139890496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).