1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene

C14H10Cl4O2S — CID 154207405

IUPAC1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene
SMILESCc1ccc(Cl)c(Cl)c1S(=O)(=O)c1c(C)ccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl4O2S/c1-7-3-5-9(15)11(17)13(7)21(19,20)14-8(2)4-6-10(16)12(14)18/h3-6H,1-2H3
InChIKeyUANUQKGEUXQHQE-UHFFFAOYSA-N
MW384.11 g/mol
LogP5.75
Rot. Bonds2

About 1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene

1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene (PubChem CID 154207405) has the molecular formula C14H10Cl4O2S and a molecular weight of 384.11 g/mol. Its IUPAC name is 1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene
PubChem CID154207405
Molecular FormulaC14H10Cl4O2S
Molecular Weight384.11 g/mol
Exact Mass381.92
IUPAC Name1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene
SMILESCc1ccc(Cl)c(Cl)c1S(=O)(=O)c1c(C)ccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl4O2S/c1-7-3-5-9(15)11(17)13(7)21(19,20)14-8(2)4-6-10(16)12(14)18/h3-6H,1-2H3
InChIKeyUANUQKGEUXQHQE-UHFFFAOYSA-N
XLogP5.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.11
LogP ≤ 55.75
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-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene?
The IUPAC name of 1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene (CID 154207405) is 1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene.
What is the SMILES notation for 1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene?
The canonical SMILES for 1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene is Cc1ccc(Cl)c(Cl)c1S(=O)(=O)c1c(C)ccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene?
The InChIKey is UANUQKGEUXQHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O2S/c1-7-3-5-9(15)11(17)13(7)21(19,20)14-8(2)4-6-10(16)12(14)18/h3-6H,1-2H3.
What are the key properties of 1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene?
1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene has a molecular weight of 384.11 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene is sourced from PubChem (CID 154207405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).