1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene

C19H15ClO2S — CID 23451389

IUPAC1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene
SMILESCS(=O)(=O)c1ccc(-c2ccccc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H15ClO2S/c1-23(21,22)17-11-9-14(10-12-17)18-7-2-3-8-19(18)15-5-4-6-16(20)13-15/h2-13H,1H3
InChIKeyICFVNTVCVMEKPJ-UHFFFAOYSA-N
MW342.85 g/mol
LogP5.08
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene

1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene (PubChem CID 23451389) has the molecular formula C19H15ClO2S and a molecular weight of 342.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene
PubChem CID23451389
Molecular FormulaC19H15ClO2S
Molecular Weight342.85 g/mol
Exact Mass342.05
IUPAC Name1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene
SMILESCS(=O)(=O)c1ccc(-c2ccccc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H15ClO2S/c1-23(21,22)17-11-9-14(10-12-17)18-7-2-3-8-19(18)15-5-4-6-16(20)13-15/h2-13H,1H3
InChIKeyICFVNTVCVMEKPJ-UHFFFAOYSA-N
XLogP5.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)azulene-1-carboxylic acid
CID 22107174
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451001
1,2,3-trifluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451159
1,3-dichloro-2-methoxy-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451274
4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 18930755
5-(3-chlorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)furan-3-one
CID 142769918
3-(3-chlorophenyl)-4-methylsulfonyl-1H-pyrrole
CID 71412989
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)ethane-1,2-dione
CID 18463772
1,2-difluoro-4-(3-methylphenyl)-5-(4-methylsulfonylphenyl)benzene
CID 23451201
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
1-isocyano-2-(4-methylsulfonylphenyl)benzene
CID 165176438

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene?
The IUPAC name of 1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene (CID 23451389) is 1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene?
The canonical SMILES for 1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene is CS(=O)(=O)c1ccc(-c2ccccc2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene?
The InChIKey is ICFVNTVCVMEKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO2S/c1-23(21,22)17-11-9-14(10-12-17)18-7-2-3-8-19(18)15-5-4-6-16(20)13-15/h2-13H,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene?
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene has a molecular weight of 342.85 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene is sourced from PubChem (CID 23451389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).