2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline

C29H20F3NO2S — CID 68939881

IUPAC2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
SMILESCS(=O)(=O)c1ccccc1-c1cccc(-c2nc3c(C(F)(F)F)cccc3cc2-c2ccccc2)c1
InChIInChI=1S/C29H20F3NO2S/c1-36(34,35)26-16-6-5-14-23(26)20-11-7-12-21(17-20)27-24(19-9-3-2-4-10-19)18-22-13-8-15-25(28(22)33-27)29(30,31)32/h2-18H,1H3
InChIKeyOLWNFISVXJRGLH-UHFFFAOYSA-N
MW503.55 g/mol
LogP7.66
Rot. Bonds4

About 2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline

2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline (PubChem CID 68939881) has the molecular formula C29H20F3NO2S and a molecular weight of 503.55 g/mol. Its IUPAC name is 2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
PubChem CID68939881
Molecular FormulaC29H20F3NO2S
Molecular Weight503.55 g/mol
Exact Mass503.12
IUPAC Name2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
SMILESCS(=O)(=O)c1ccccc1-c1cccc(-c2nc3c(C(F)(F)F)cccc3cc2-c2ccccc2)c1
InChIInChI=1S/C29H20F3NO2S/c1-36(34,35)26-16-6-5-14-23(26)20-11-7-12-21(17-20)27-24(19-9-3-2-4-10-19)18-22-13-8-15-25(28(22)33-27)29(30,31)32/h2-18H,1H3
InChIKeyOLWNFISVXJRGLH-UHFFFAOYSA-N
XLogP7.66
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.55
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-(Methylsulfonyl)phenyl)-3-phenylquinoline
CID 46232132
3-Ethyl-4-(3''-(methylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline
CID 46887799
4-(3''-(Methylsulfonyl)biphenyl-3-yl)-3-propyl-8-(trifluoromethyl)quinoline
CID 46887800
3-Isopropyl-4-(3''-(methylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline
CID 46887851
3-[(3,5-Difluorophenyl)sulfonyl]-8-fluoro-4-(4-fluorophenyl)quinoline
CID 25168256
8-[3-(2-Methylsulfonylphenyl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline
CID 10254543
8-Fluoro-4-(4-fluorophenyl)-3-[(3-fluorophenyl)sulfonyl]quinoline
CID 25169464
4-(3''-(Methylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline
CID 44180521
3-Ethyl-2-[3''-(methylsulfonyl)biphenyl-4-yl]-5-(trifluoromethyl)-quinoxaline
CID 46186945
3-Methyl-2-(3'-(methylsulfonyl)biphenyl-4-yl)-5-(trifluoromethyl)quinoxaline
CID 46206336
3-Methyl-4-(3''-(methylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline
CID 46887744
3-Methyl-4-(4''-(methylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline
CID 46887745

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline (CID 68939881) is 2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline is CS(=O)(=O)c1ccccc1-c1cccc(-c2nc3c(C(F)(F)F)cccc3cc2-c2ccccc2)c1.
What is the InChIKey of 2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
The InChIKey is OLWNFISVXJRGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F3NO2S/c1-36(34,35)26-16-6-5-14-23(26)20-11-7-12-21(17-20)27-24(19-9-3-2-4-10-19)18-22-13-8-15-25(28(22)33-27)29(30,31)32/h2-18H,1H3.
What are the key properties of 2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline has a molecular weight of 503.55 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 68939881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).