1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene

C13H9Cl3OS — CID 23161669

IUPAC1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene
SMILESCc1cc(Cl)c(S(=O)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H9Cl3OS/c1-8-6-11(15)13(12(16)7-8)18(17)10-4-2-9(14)3-5-10/h2-7H,1H3
InChIKeyOTMYWJHLKOJDFE-UHFFFAOYSA-N
MW319.64 g/mol
LogP5.12
Rot. Bonds2

About 1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene

1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene (PubChem CID 23161669) has the molecular formula C13H9Cl3OS and a molecular weight of 319.64 g/mol. Its IUPAC name is 1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene.

Molecular Properties

Compound Name1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene
PubChem CID23161669
Molecular FormulaC13H9Cl3OS
Molecular Weight319.64 g/mol
Exact Mass317.94
IUPAC Name1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene
SMILESCc1cc(Cl)c(S(=O)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H9Cl3OS/c1-8-6-11(15)13(12(16)7-8)18(17)10-4-2-9(14)3-5-10/h2-7H,1H3
InChIKeyOTMYWJHLKOJDFE-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.64
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene?
The IUPAC name of 1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene (CID 23161669) is 1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene.
What is the SMILES notation for 1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene?
The canonical SMILES for 1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene is Cc1cc(Cl)c(S(=O)c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene?
The InChIKey is OTMYWJHLKOJDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3OS/c1-8-6-11(15)13(12(16)7-8)18(17)10-4-2-9(14)3-5-10/h2-7H,1H3.
What are the key properties of 1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene?
1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene has a molecular weight of 319.64 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene is sourced from PubChem (CID 23161669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).