4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline

C16H9ClF3NS — CID 134101762

IUPAC4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nccc(Sc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H9ClF3NS/c17-11-2-4-12(5-3-11)22-15-7-8-21-14-6-1-10(9-13(14)15)16(18,19)20/h1-9H
InChIKeyAKVCBAFKOHMAPS-UHFFFAOYSA-N
MW339.77 g/mol
LogP6.06
Rot. Bonds2

About 4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline

4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline (PubChem CID 134101762) has the molecular formula C16H9ClF3NS and a molecular weight of 339.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline
PubChem CID134101762
Molecular FormulaC16H9ClF3NS
Molecular Weight339.77 g/mol
Exact Mass339.01
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nccc(Sc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H9ClF3NS/c17-11-2-4-12(5-3-11)22-15-7-8-21-14-6-1-10(9-13(14)15)16(18,19)20/h1-9H
InChIKeyAKVCBAFKOHMAPS-UHFFFAOYSA-N
XLogP6.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.77
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-6-(trifluoromethyl)quinoline
CID 123745234
4-isothiocyanato-6-(trifluoromethyl)quinoline
CID 86239188
ethyl 1-[6-(trifluoromethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylate
CID 86291823
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide
CID 126703080
N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide
CID 130219664
3-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 165167137
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
1,1-difluoro-1-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpropan-2-one
CID 10758107
2-(7-chloroquinolin-4-yl)sulfanylphenol
CID 62026689
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine-4-carboxylic acid
CID 62648248
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine
CID 91806192

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline (CID 134101762) is 4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline is FC(F)(F)c1ccc2nccc(Sc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline?
The InChIKey is AKVCBAFKOHMAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NS/c17-11-2-4-12(5-3-11)22-15-7-8-21-14-6-1-10(9-13(14)15)16(18,19)20/h1-9H.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline?
4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline has a molecular weight of 339.77 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 134101762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).