3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine

C20H10ClF4NO2S2 — CID 59159449

IUPAC3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine
SMILESO=S(=O)(c1cc(F)cc(C(F)(F)F)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H10ClF4NO2S2/c21-13-5-3-11(4-6-13)17-16-2-1-7-26-18(16)29-19(17)30(27,28)15-9-12(20(23,24)25)8-14(22)10-15/h1-10H
InChIKeyVZSDRTQGLHBWHV-UHFFFAOYSA-N
MW471.88 g/mol
LogP6.61
Rot. Bonds3

About 3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine

3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine (PubChem CID 59159449) has the molecular formula C20H10ClF4NO2S2 and a molecular weight of 471.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine
PubChem CID59159449
Molecular FormulaC20H10ClF4NO2S2
Molecular Weight471.88 g/mol
Exact Mass470.98
IUPAC Name3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine
SMILESO=S(=O)(c1cc(F)cc(C(F)(F)F)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H10ClF4NO2S2/c21-13-5-3-11(4-6-13)17-16-2-1-7-26-18(16)29-19(17)30(27,28)15-9-12(20(23,24)25)8-14(22)10-15/h1-10H
InChIKeyVZSDRTQGLHBWHV-UHFFFAOYSA-N
XLogP6.61
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.88
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine 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 3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine (CID 59159449) is 3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine is O=S(=O)(c1cc(F)cc(C(F)(F)F)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine?
The InChIKey is VZSDRTQGLHBWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF4NO2S2/c21-13-5-3-11(4-6-13)17-16-2-1-7-26-18(16)29-19(17)30(27,28)15-9-12(20(23,24)25)8-14(22)10-15/h1-10H.
What are the key properties of 3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine?
3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine has a molecular weight of 471.88 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylthieno[2,3-b]pyridine is sourced from PubChem (CID 59159449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).