2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride

C19H12FNO2S2 — CID 174971433

IUPAC2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc2nc(-c3cccc(-c4cccs4)c3)ccc2c1
InChIInChI=1S/C19H12FNO2S2/c20-25(22,23)16-7-9-18-14(12-16)6-8-17(21-18)13-3-1-4-15(11-13)19-5-2-10-24-19/h1-12H
InChIKeyGLOWSCJQJUUWFT-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.29
Rot. Bonds3

About 2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride

2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride (PubChem CID 174971433) has the molecular formula C19H12FNO2S2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride.

Molecular Properties

Compound Name2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride
PubChem CID174971433
Molecular FormulaC19H12FNO2S2
Molecular Weight369.44 g/mol
Exact Mass369.03
IUPAC Name2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc2nc(-c3cccc(-c4cccs4)c3)ccc2c1
InChIInChI=1S/C19H12FNO2S2/c20-25(22,23)16-7-9-18-14(12-16)6-8-17(21-18)13-3-1-4-15(11-13)19-5-2-10-24-19/h1-12H
InChIKeyGLOWSCJQJUUWFT-UHFFFAOYSA-N
XLogP5.29
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride?
The IUPAC name of 2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride (CID 174971433) is 2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride.
What is the SMILES notation for 2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride?
The canonical SMILES for 2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride is O=S(=O)(F)c1ccc2nc(-c3cccc(-c4cccs4)c3)ccc2c1.
What is the InChIKey of 2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride?
The InChIKey is GLOWSCJQJUUWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO2S2/c20-25(22,23)16-7-9-18-14(12-16)6-8-17(21-18)13-3-1-4-15(11-13)19-5-2-10-24-19/h1-12H.
What are the key properties of 2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride?
2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride has a molecular weight of 369.44 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-ylphenyl)quinoline-6-sulfonyl fluoride is sourced from PubChem (CID 174971433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).