1,2-dichloro-4-(2-methylsulfonylphenyl)benzene

C13H10Cl2O2S — CID 57061474

IUPAC1,2-dichloro-4-(2-methylsulfonylphenyl)benzene
SMILESCS(=O)(=O)c1ccccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2O2S/c1-18(16,17)13-5-3-2-4-10(13)9-6-7-11(14)12(15)8-9/h2-8H,1H3
InChIKeySMHCGCXIUOKLFF-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.06
Rot. Bonds2

About 1,2-dichloro-4-(2-methylsulfonylphenyl)benzene

1,2-dichloro-4-(2-methylsulfonylphenyl)benzene (PubChem CID 57061474) has the molecular formula C13H10Cl2O2S and a molecular weight of 301.19 g/mol. Its IUPAC name is 1,2-dichloro-4-(2-methylsulfonylphenyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(2-methylsulfonylphenyl)benzene
PubChem CID57061474
Molecular FormulaC13H10Cl2O2S
Molecular Weight301.19 g/mol
Exact Mass299.98
IUPAC Name1,2-dichloro-4-(2-methylsulfonylphenyl)benzene
SMILESCS(=O)(=O)c1ccccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2O2S/c1-18(16,17)13-5-3-2-4-10(13)9-6-7-11(14)12(15)8-9/h2-8H,1H3
InChIKeySMHCGCXIUOKLFF-UHFFFAOYSA-N
XLogP4.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dichloro-4-(2-methylsulfonylphenyl)benzene with MolForge

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

Launch Full Analysis

Related Compounds

1-chloro-2-methyl-4-[2-(2-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917399
1,2-dichloro-4-(2-ethylphenyl)benzene
CID 67818201
1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene
CID 58902832
4-(2-methylsulfonylphenyl)benzonitrile
CID 22323113
[4-(2-methylsulfonylphenyl)phenyl]methanamine
CID 15551924
5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911908
2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole
CID 22911779
5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
CID 173207485
2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine
CID 101434001
3-(2-methylsulfonylphenyl)furan
CID 173345418
2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide
CID 90834419
3-(3,4-dichlorophenyl)-4-(2,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22745398

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(2-methylsulfonylphenyl)benzene?
The IUPAC name of 1,2-dichloro-4-(2-methylsulfonylphenyl)benzene (CID 57061474) is 1,2-dichloro-4-(2-methylsulfonylphenyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(2-methylsulfonylphenyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(2-methylsulfonylphenyl)benzene is CS(=O)(=O)c1ccccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(2-methylsulfonylphenyl)benzene?
The InChIKey is SMHCGCXIUOKLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2S/c1-18(16,17)13-5-3-2-4-10(13)9-6-7-11(14)12(15)8-9/h2-8H,1H3.
What are the key properties of 1,2-dichloro-4-(2-methylsulfonylphenyl)benzene?
1,2-dichloro-4-(2-methylsulfonylphenyl)benzene has a molecular weight of 301.19 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(2-methylsulfonylphenyl)benzene is sourced from PubChem (CID 57061474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).