8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide

C11H9F3N2O3S — CID 43164351

IUPAC8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide
SMILESNS(=O)(=O)c1ccc(OCC(F)(F)F)c2ncccc12
InChIInChI=1S/C11H9F3N2O3S/c12-11(13,14)6-19-8-3-4-9(20(15,17)18)7-2-1-5-16-10(7)8/h1-5H,6H2,(H2,15,17,18)
InChIKeyFLPRVEPZMRAMJZ-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.82
Rot. Bonds3

About 8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide

8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide (PubChem CID 43164351) has the molecular formula C11H9F3N2O3S and a molecular weight of 306.27 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide
PubChem CID43164351
Molecular FormulaC11H9F3N2O3S
Molecular Weight306.27 g/mol
Exact Mass306.03
IUPAC Name8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide
SMILESNS(=O)(=O)c1ccc(OCC(F)(F)F)c2ncccc12
InChIInChI=1S/C11H9F3N2O3S/c12-11(13,14)6-19-8-3-4-9(20(15,17)18)7-2-1-5-16-10(7)8/h1-5H,6H2,(H2,15,17,18)
InChIKeyFLPRVEPZMRAMJZ-UHFFFAOYSA-N
XLogP1.82
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-fluoropropoxy)quinoline-5-sulfonamide
CID 81113157
8-phenylmethoxyquinoline-5-sulfonamide
CID 60758024
3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid
CID 43342300
8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
CID 82921921
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide
CID 64566322
5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 62104800
8-methoxyquinoline-5-sulfonyl fluoride
CID 165461293
5-propan-2-yloxyquinoline-8-sulfonamide
CID 103045315
5-(2-methylidenebutoxy)quinoline-8-sulfonamide
CID 103045360
5-but-3-ynoxyquinoline-8-sulfonamide
CID 103045310
5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide
CID 103045348

Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide?
The IUPAC name of 8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide (CID 43164351) is 8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide.
What is the SMILES notation for 8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide?
The canonical SMILES for 8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide is NS(=O)(=O)c1ccc(OCC(F)(F)F)c2ncccc12.
What is the InChIKey of 8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide?
The InChIKey is FLPRVEPZMRAMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S/c12-11(13,14)6-19-8-3-4-9(20(15,17)18)7-2-1-5-16-10(7)8/h1-5H,6H2,(H2,15,17,18).
What are the key properties of 8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide?
8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide has a molecular weight of 306.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide is sourced from PubChem (CID 43164351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).