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

C20H10F2N2O2S2 — CID 24900077

IUPAC3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
SMILESN#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccccc2F)c1
InChIInChI=1S/C20H10F2N2O2S2/c21-13-8-12(11-23)9-14(10-13)28(25,26)20-18(15-4-1-2-6-17(15)22)16-5-3-7-24-19(16)27-20/h1-10H
InChIKeyIQBXHAPVFAJRMV-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.95
Rot. Bonds3

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

3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile (PubChem CID 24900077) has the molecular formula C20H10F2N2O2S2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
PubChem CID24900077
Molecular FormulaC20H10F2N2O2S2
Molecular Weight412.44 g/mol
Exact Mass412.02
IUPAC Name3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
SMILESN#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccccc2F)c1
InChIInChI=1S/C20H10F2N2O2S2/c21-13-8-12(11-23)9-14(10-13)28(25,26)20-18(15-4-1-2-6-17(15)22)16-5-3-7-24-19(16)27-20/h1-10H
InChIKeyIQBXHAPVFAJRMV-UHFFFAOYSA-N
XLogP4.95
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Chloro-benzenesulfonyl)-3-(4-chloro-phenyl)-thieno[2,3-b]pyridine
CID 24898606
3-(4-Chlorophenyl)-2-(4-fluorophenyl)sulfonylthieno[2,3-b]pyridine
CID 24898607
3-(4-Chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine
CID 24898608
4-[3-(4-Chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
CID 24898609
2-(Benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine
CID 24898610
3-[3-(4-Chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
CID 24898611
3-(4-Chlorophenyl)-2-(3-chlorophenyl)sulfonylthieno[2,3-b]pyridine
CID 24898843
3-(4-Chlorophenyl)-2-(3-fluorophenyl)sulfonylthieno[2,3-b]pyridine
CID 24899070
3-[3-(3-Fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
CID 24899071
3-[3-(4-Methylphenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
CID 24899315
3-[3-(4-Chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonyl-5-fluorobenzonitrile
CID 24899318
3-(4-Chlorophenyl)-2-(3-fluoro-4-methylphenyl)sulfonylthieno[2,3-b]pyridine
CID 24899319

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The IUPAC name of 3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile (CID 24900077) is 3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile.
What is the SMILES notation for 3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The canonical SMILES for 3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile is N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccccc2F)c1.
What is the InChIKey of 3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The InChIKey is IQBXHAPVFAJRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F2N2O2S2/c21-13-8-12(11-23)9-14(10-13)28(25,26)20-18(15-4-1-2-6-17(15)22)16-5-3-7-24-19(16)27-20/h1-10H.
What are the key properties of 3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile has a molecular weight of 412.44 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[3-(2-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile is sourced from PubChem (CID 24900077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).