2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline

C28H21NO2S — CID 46232185

IUPAC2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H21NO2S/c1-32(30,31)23-18-16-22(17-19-23)28-27(21-12-6-3-7-13-21)26(20-10-4-2-5-11-20)24-14-8-9-15-25(24)29-28/h2-19H,1H3
InChIKeyLUROKNODFIRYMB-UHFFFAOYSA-N
MW435.55 g/mol
LogP6.64
Rot. Bonds4

About 2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline

2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline (PubChem CID 46232185) has the molecular formula C28H21NO2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline
PubChem CID46232185
Molecular FormulaC28H21NO2S
Molecular Weight435.55 g/mol
Exact Mass435.13
IUPAC Name2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H21NO2S/c1-32(30,31)23-18-16-22(17-19-23)28-27(21-12-6-3-7-13-21)26(20-10-4-2-5-11-20)24-14-8-9-15-25(24)29-28/h2-19H,1H3
InChIKeyLUROKNODFIRYMB-UHFFFAOYSA-N
XLogP6.64
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline (CID 46232185) is 2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline is CS(=O)(=O)c1ccc(-c2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline?
The InChIKey is LUROKNODFIRYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO2S/c1-32(30,31)23-18-16-22(17-19-23)28-27(21-12-6-3-7-13-21)26(20-10-4-2-5-11-20)24-14-8-9-15-25(24)29-28/h2-19H,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline?
2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline has a molecular weight of 435.55 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-3,4-diphenylquinoline is sourced from PubChem (CID 46232185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).