3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile

C19H9F2N3O2S2 — CID 118729564

IUPAC3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
SMILESN#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2cnccc2F)c1
InChIInChI=1S/C19H9F2N3O2S2/c20-12-6-11(9-22)7-13(8-12)28(25,26)19-17(15-10-23-5-3-16(15)21)14-2-1-4-24-18(14)27-19/h1-8,10H
InChIKeyVHDOLRIAKVKAIC-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.34
Rot. Bonds3

About 3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile

3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile (PubChem CID 118729564) has the molecular formula C19H9F2N3O2S2 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
PubChem CID118729564
Molecular FormulaC19H9F2N3O2S2
Molecular Weight413.43 g/mol
Exact Mass413.01
IUPAC Name3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
SMILESN#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2cnccc2F)c1
InChIInChI=1S/C19H9F2N3O2S2/c20-12-6-11(9-22)7-13(8-12)28(25,26)19-17(15-10-23-5-3-16(15)21)14-2-1-4-24-18(14)27-19/h1-8,10H
InChIKeyVHDOLRIAKVKAIC-UHFFFAOYSA-N
XLogP4.34
TPSA83.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile 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-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The IUPAC name of 3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile (CID 118729564) is 3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile.
What is the SMILES notation for 3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The canonical SMILES for 3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile is N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2cnccc2F)c1.
What is the InChIKey of 3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The InChIKey is VHDOLRIAKVKAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F2N3O2S2/c20-12-6-11(9-22)7-13(8-12)28(25,26)19-17(15-10-23-5-3-16(15)21)14-2-1-4-24-18(14)27-19/h1-8,10H.
What are the key properties of 3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile has a molecular weight of 413.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[3-(4-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile is sourced from PubChem (CID 118729564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).