1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene

C13H8Cl4O2S — CID 71343206

IUPAC1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene
SMILESCS(=O)(=O)c1c(Cl)ccc(-c2cc(Cl)ccc2Cl)c1Cl
InChIInChI=1S/C13H8Cl4O2S/c1-20(18,19)13-11(16)5-3-8(12(13)17)9-6-7(14)2-4-10(9)15/h2-6H,1H3
InChIKeyUEEPEPNZMVGBHX-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.37
Rot. Bonds2

About 1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene

1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene (PubChem CID 71343206) has the molecular formula C13H8Cl4O2S and a molecular weight of 370.08 g/mol. Its IUPAC name is 1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene.

Molecular Properties

Compound Name1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene
PubChem CID71343206
Molecular FormulaC13H8Cl4O2S
Molecular Weight370.08 g/mol
Exact Mass367.90
IUPAC Name1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene
SMILESCS(=O)(=O)c1c(Cl)ccc(-c2cc(Cl)ccc2Cl)c1Cl
InChIInChI=1S/C13H8Cl4O2S/c1-20(18,19)13-11(16)5-3-8(12(13)17)9-6-7(14)2-4-10(9)15/h2-6H,1H3
InChIKeyUEEPEPNZMVGBHX-UHFFFAOYSA-N
XLogP5.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene?
The IUPAC name of 1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene (CID 71343206) is 1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene.
What is the SMILES notation for 1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene?
The canonical SMILES for 1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene is CS(=O)(=O)c1c(Cl)ccc(-c2cc(Cl)ccc2Cl)c1Cl.
What is the InChIKey of 1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene?
The InChIKey is UEEPEPNZMVGBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4O2S/c1-20(18,19)13-11(16)5-3-8(12(13)17)9-6-7(14)2-4-10(9)15/h2-6H,1H3.
What are the key properties of 1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene?
1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene has a molecular weight of 370.08 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene is sourced from PubChem (CID 71343206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).