2-(4-methylsulfonylphenyl)-3-phenylquinoline

C22H17NO2S — CID 46232132

IUPAC2-(4-methylsulfonylphenyl)-3-phenylquinoline
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccc3cc2-c2ccccc2)cc1
InChIInChI=1S/C22H17NO2S/c1-26(24,25)19-13-11-17(12-14-19)22-20(16-7-3-2-4-8-16)15-18-9-5-6-10-21(18)23-22/h2-15H,1H3
InChIKeyOPLJPOZQZWTQDV-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.97
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)-3-phenylquinoline

2-(4-methylsulfonylphenyl)-3-phenylquinoline (PubChem CID 46232132) has the molecular formula C22H17NO2S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-phenylquinoline.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-phenylquinoline
PubChem CID46232132
Molecular FormulaC22H17NO2S
Molecular Weight359.45 g/mol
Exact Mass359.10
IUPAC Name2-(4-methylsulfonylphenyl)-3-phenylquinoline
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccc3cc2-c2ccccc2)cc1
InChIInChI=1S/C22H17NO2S/c1-26(24,25)19-13-11-17(12-14-19)22-20(16-7-3-2-4-8-16)15-18-9-5-6-10-21(18)23-22/h2-15H,1H3
InChIKeyOPLJPOZQZWTQDV-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-(4-methylsulfonylphenyl)-3-phenylquinoline?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-phenylquinoline (CID 46232132) is 2-(4-methylsulfonylphenyl)-3-phenylquinoline.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-phenylquinoline?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-phenylquinoline is CS(=O)(=O)c1ccc(-c2nc3ccccc3cc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-phenylquinoline?
The InChIKey is OPLJPOZQZWTQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2S/c1-26(24,25)19-13-11-17(12-14-19)22-20(16-7-3-2-4-8-16)15-18-9-5-6-10-21(18)23-22/h2-15H,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3-phenylquinoline?
2-(4-methylsulfonylphenyl)-3-phenylquinoline 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-(4-methylsulfonylphenyl)-3-phenylquinoline is sourced from PubChem (CID 46232132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).