2-[2-(4-methylsulfonylphenyl)phenyl]quinoline

C22H17NO2S — CID 21223977

IUPAC2-[2-(4-methylsulfonylphenyl)phenyl]quinoline
SMILESCS(=O)(=O)c1ccc(-c2ccccc2-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C22H17NO2S/c1-26(24,25)18-13-10-16(11-14-18)19-7-3-4-8-20(19)22-15-12-17-6-2-5-9-21(17)23-22/h2-15H,1H3
InChIKeyPWUVWNMHFZHZRJ-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.97
Rot. Bonds3

About 2-[2-(4-methylsulfonylphenyl)phenyl]quinoline

2-[2-(4-methylsulfonylphenyl)phenyl]quinoline (PubChem CID 21223977) has the molecular formula C22H17NO2S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[2-(4-methylsulfonylphenyl)phenyl]quinoline.

Molecular Properties

Compound Name2-[2-(4-methylsulfonylphenyl)phenyl]quinoline
PubChem CID21223977
Molecular FormulaC22H17NO2S
Molecular Weight359.45 g/mol
Exact Mass359.10
IUPAC Name2-[2-(4-methylsulfonylphenyl)phenyl]quinoline
SMILESCS(=O)(=O)c1ccc(-c2ccccc2-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C22H17NO2S/c1-26(24,25)18-13-10-16(11-14-18)19-7-3-4-8-20(19)22-15-12-17-6-2-5-9-21(17)23-22/h2-15H,1H3
InChIKeyPWUVWNMHFZHZRJ-UHFFFAOYSA-N
XLogP4.97
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylsulfonylphenyl)phenyl]quinoline?
The IUPAC name of 2-[2-(4-methylsulfonylphenyl)phenyl]quinoline (CID 21223977) is 2-[2-(4-methylsulfonylphenyl)phenyl]quinoline.
What is the SMILES notation for 2-[2-(4-methylsulfonylphenyl)phenyl]quinoline?
The canonical SMILES for 2-[2-(4-methylsulfonylphenyl)phenyl]quinoline is CS(=O)(=O)c1ccc(-c2ccccc2-c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[2-(4-methylsulfonylphenyl)phenyl]quinoline?
The InChIKey is PWUVWNMHFZHZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2S/c1-26(24,25)18-13-10-16(11-14-18)19-7-3-4-8-20(19)22-15-12-17-6-2-5-9-21(17)23-22/h2-15H,1H3.
What are the key properties of 2-[2-(4-methylsulfonylphenyl)phenyl]quinoline?
2-[2-(4-methylsulfonylphenyl)phenyl]quinoline has a molecular weight of 359.45 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylsulfonylphenyl)phenyl]quinoline is sourced from PubChem (CID 21223977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).