1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene

C12H7Cl3O2S — CID 101290802

IUPAC1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccc(Cl)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H7Cl3O2S/c13-8-4-6-9(7-5-8)18(16,17)12-10(14)2-1-3-11(12)15/h1-7H
InChIKeyMHGSLITZLLJIIN-UHFFFAOYSA-N
MW321.61 g/mol
LogP4.48
Rot. Bonds2

About 1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene

1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene (PubChem CID 101290802) has the molecular formula C12H7Cl3O2S and a molecular weight of 321.61 g/mol. Its IUPAC name is 1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene.

Molecular Properties

Compound Name1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene
PubChem CID101290802
Molecular FormulaC12H7Cl3O2S
Molecular Weight321.61 g/mol
Exact Mass319.92
IUPAC Name1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccc(Cl)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H7Cl3O2S/c13-8-4-6-9(7-5-8)18(16,17)12-10(14)2-1-3-11(12)15/h1-7H
InChIKeyMHGSLITZLLJIIN-UHFFFAOYSA-N
XLogP4.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 54.48
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-(4-chlorophenyl)sulfonylbenzene?
The IUPAC name of 1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene (CID 101290802) is 1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene.
What is the SMILES notation for 1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene?
The canonical SMILES for 1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene is O=S(=O)(c1ccc(Cl)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene?
The InChIKey is MHGSLITZLLJIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O2S/c13-8-4-6-9(7-5-8)18(16,17)12-10(14)2-1-3-11(12)15/h1-7H.
What are the key properties of 1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene?
1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene has a molecular weight of 321.61 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene is sourced from PubChem (CID 101290802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).