1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide

C11H8ClF3N2O2S — CID 114827717

IUPAC1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)C(c1ccc(Cl)c2cccnc12)C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O2S/c12-8-4-3-7(9-6(8)2-1-5-17-9)10(11(13,14)15)20(16,18)19/h1-5,10H,(H2,16,18,19)
InChIKeyJGWIJPILSVGBNI-UHFFFAOYSA-N
MW324.71 g/mol
LogP2.78
Rot. Bonds2

About 1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide

1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 114827717) has the molecular formula C11H8ClF3N2O2S and a molecular weight of 324.71 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide
PubChem CID114827717
Molecular FormulaC11H8ClF3N2O2S
Molecular Weight324.71 g/mol
Exact Mass323.99
IUPAC Name1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)C(c1ccc(Cl)c2cccnc12)C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O2S/c12-8-4-3-7(9-6(8)2-1-5-17-9)10(11(13,14)15)20(16,18)19/h1-5,10H,(H2,16,18,19)
InChIKeyJGWIJPILSVGBNI-UHFFFAOYSA-N
XLogP2.78
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021
N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide
CID 115960338
5-chloroquinoline-8-sulfonyl chloride
CID 4206949
2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine
CID 43752905
methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
CID 112618441
4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol
CID 112618658
CID 172791001
CID 172791001
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
CID 115960222
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide (CID 114827717) is 1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide is NS(=O)(=O)C(c1ccc(Cl)c2cccnc12)C(F)(F)F.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is JGWIJPILSVGBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2S/c12-8-4-3-7(9-6(8)2-1-5-17-9)10(11(13,14)15)20(16,18)19/h1-5,10H,(H2,16,18,19).
What are the key properties of 1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide?
1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 324.71 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 114827717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).