8-(3-fluoropropoxy)quinoline-5-sulfonamide

C12H13FN2O3S — CID 81113157

IUPAC8-(3-fluoropropoxy)quinoline-5-sulfonamide
SMILESNS(=O)(=O)c1ccc(OCCCF)c2ncccc12
InChIInChI=1S/C12H13FN2O3S/c13-6-2-8-18-10-4-5-11(19(14,16)17)9-3-1-7-15-12(9)10/h1,3-5,7H,2,6,8H2,(H2,14,16,17)
InChIKeyXYQHOYPTGZCGIQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.62
Rot. Bonds5

About 8-(3-fluoropropoxy)quinoline-5-sulfonamide

8-(3-fluoropropoxy)quinoline-5-sulfonamide (PubChem CID 81113157) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 8-(3-fluoropropoxy)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-(3-fluoropropoxy)quinoline-5-sulfonamide
PubChem CID81113157
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name8-(3-fluoropropoxy)quinoline-5-sulfonamide
SMILESNS(=O)(=O)c1ccc(OCCCF)c2ncccc12
InChIInChI=1S/C12H13FN2O3S/c13-6-2-8-18-10-4-5-11(19(14,16)17)9-3-1-7-15-12(9)10/h1,3-5,7H,2,6,8H2,(H2,14,16,17)
InChIKeyXYQHOYPTGZCGIQ-UHFFFAOYSA-N
XLogP1.62
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-(3-fluoropropoxy)quinoline-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid
CID 43342300
8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide
CID 43164351
8-phenylmethoxyquinoline-5-sulfonamide
CID 60758024
8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
CID 82921921
5-but-3-ynoxyquinoline-8-sulfonamide
CID 103045310
8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride
CID 65176470
5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
CID 103045343
3-(5-chlorosulfonylquinolin-8-yl)oxypropanoic acid
CID 43115657
5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113508
8-methoxyquinoline-5-sulfonyl fluoride
CID 165461293
4-butoxynaphthalene-1-sulfonamide
CID 43342503
5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113386

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoropropoxy)quinoline-5-sulfonamide?
The IUPAC name of 8-(3-fluoropropoxy)quinoline-5-sulfonamide (CID 81113157) is 8-(3-fluoropropoxy)quinoline-5-sulfonamide.
What is the SMILES notation for 8-(3-fluoropropoxy)quinoline-5-sulfonamide?
The canonical SMILES for 8-(3-fluoropropoxy)quinoline-5-sulfonamide is NS(=O)(=O)c1ccc(OCCCF)c2ncccc12.
What is the InChIKey of 8-(3-fluoropropoxy)quinoline-5-sulfonamide?
The InChIKey is XYQHOYPTGZCGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c13-6-2-8-18-10-4-5-11(19(14,16)17)9-3-1-7-15-12(9)10/h1,3-5,7H,2,6,8H2,(H2,14,16,17).
What are the key properties of 8-(3-fluoropropoxy)quinoline-5-sulfonamide?
8-(3-fluoropropoxy)quinoline-5-sulfonamide has a molecular weight of 284.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoropropoxy)quinoline-5-sulfonamide is sourced from PubChem (CID 81113157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).