2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide

C11H9F3N2O2S — CID 168991111

IUPAC2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide
SMILESNS(=O)(=O)c1cc2ccccc2nc1CC(F)(F)F
InChIInChI=1S/C11H9F3N2O2S/c12-11(13,14)6-9-10(19(15,17)18)5-7-3-1-2-4-8(7)16-9/h1-5H,6H2,(H2,15,17,18)
InChIKeyTXTKHVYQEMGQNS-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.99
Rot. Bonds2

About 2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide

2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide (PubChem CID 168991111) has the molecular formula C11H9F3N2O2S and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide
PubChem CID168991111
Molecular FormulaC11H9F3N2O2S
Molecular Weight290.27 g/mol
Exact Mass290.03
IUPAC Name2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide
SMILESNS(=O)(=O)c1cc2ccccc2nc1CC(F)(F)F
InChIInChI=1S/C11H9F3N2O2S/c12-11(13,14)6-9-10(19(15,17)18)5-7-3-1-2-4-8(7)16-9/h1-5H,6H2,(H2,15,17,18)
InChIKeyTXTKHVYQEMGQNS-UHFFFAOYSA-N
XLogP1.99
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide?
The IUPAC name of 2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide (CID 168991111) is 2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide is NS(=O)(=O)c1cc2ccccc2nc1CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide?
The InChIKey is TXTKHVYQEMGQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S/c12-11(13,14)6-9-10(19(15,17)18)5-7-3-1-2-4-8(7)16-9/h1-5H,6H2,(H2,15,17,18).
What are the key properties of 2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide?
2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide has a molecular weight of 290.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)quinoline-3-sulfonamide is sourced from PubChem (CID 168991111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).