2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline

C24H17ClF3NO2S — CID 174583242

IUPAC2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline
SMILESCc1cc2cccc(C(F)(F)F)c2nc1-c1c(S(C)(=O)=O)ccc(-c2ccccc2)c1Cl
InChIInChI=1S/C24H17ClF3NO2S/c1-14-13-16-9-6-10-18(24(26,27)28)23(16)29-22(14)20-19(32(2,30)31)12-11-17(21(20)25)15-7-4-3-5-8-15/h3-13H,1-2H3
InChIKeyCDICOPANCWOAJM-UHFFFAOYSA-N
MW475.92 g/mol
LogP6.95
Rot. Bonds3

About 2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline

2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline (PubChem CID 174583242) has the molecular formula C24H17ClF3NO2S and a molecular weight of 475.92 g/mol. Its IUPAC name is 2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline
PubChem CID174583242
Molecular FormulaC24H17ClF3NO2S
Molecular Weight475.92 g/mol
Exact Mass475.06
IUPAC Name2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline
SMILESCc1cc2cccc(C(F)(F)F)c2nc1-c1c(S(C)(=O)=O)ccc(-c2ccccc2)c1Cl
InChIInChI=1S/C24H17ClF3NO2S/c1-14-13-16-9-6-10-18(24(26,27)28)23(16)29-22(14)20-19(32(2,30)31)12-11-17(21(20)25)15-7-4-3-5-8-15/h3-13H,1-2H3
InChIKeyCDICOPANCWOAJM-UHFFFAOYSA-N
XLogP6.95
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.92
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 68939881
8-tert-butyl-3-methyl-2-phenylquinoline
CID 11011231
2-[6-ethylsulfonyl-3-phenyl-2-(trifluoromethyl)phenyl]-8-(trifluoromethyl)quinoline
CID 175262396
3-chloro-2,8-bis(trifluoromethyl)quinoline
CID 22730365
4-[3-(2,5-difluoro-4-methylsulfonylphenyl)phenyl]-3-methyl-8-(trifluoromethyl)quinoline
CID 68876653
4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline
CID 174605463
[3-[3-benzyl-8-(trifluoromethyl)quinolin-2-yl]phenyl]methanol
CID 90873041
4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 25101685
3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline
CID 132515262
2-[2-methyl-6-phenyl-3-(trifluoromethyl)phenyl]naphthalene
CID 140969950
2-[2-chloro-5-(2-methylsulfonylphenoxy)phenyl]-3-methyl-5-(trifluoromethyl)quinoxaline
CID 59321603
4-[3-(4-fluoro-3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
CID 46887891

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline (CID 174583242) is 2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline is Cc1cc2cccc(C(F)(F)F)c2nc1-c1c(S(C)(=O)=O)ccc(-c2ccccc2)c1Cl.
What is the InChIKey of 2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline?
The InChIKey is CDICOPANCWOAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3NO2S/c1-14-13-16-9-6-10-18(24(26,27)28)23(16)29-22(14)20-19(32(2,30)31)12-11-17(21(20)25)15-7-4-3-5-8-15/h3-13H,1-2H3.
What are the key properties of 2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline?
2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline has a molecular weight of 475.92 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 174583242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).