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

C20H10F2N2O2S2 — CID 24899572

IUPAC3-fluoro-5-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
SMILESN#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H10F2N2O2S2/c21-14-5-3-13(4-6-14)18-17-2-1-7-24-19(17)27-20(18)28(25,26)16-9-12(11-23)8-15(22)10-16/h1-10H
InChIKeyGEDSUQFEACAJCP-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.95
Rot. Bonds3

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

3-fluoro-5-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile (PubChem CID 24899572) has the molecular formula C20H10F2N2O2S2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 3-fluoro-5-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
PubChem CID24899572
Molecular FormulaC20H10F2N2O2S2
Molecular Weight412.44 g/mol
Exact Mass412.02
IUPAC Name3-fluoro-5-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
SMILESN#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H10F2N2O2S2/c21-14-5-3-13(4-6-14)18-17-2-1-7-24-19(17)27-20(18)28(25,26)16-9-12(11-23)8-15(22)10-16/h1-10H
InChIKeyGEDSUQFEACAJCP-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The IUPAC name of 3-fluoro-5-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile (CID 24899572) is 3-fluoro-5-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile.
What is the SMILES notation for 3-fluoro-5-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The canonical SMILES for 3-fluoro-5-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile is N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-fluoro-5-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The InChIKey is GEDSUQFEACAJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F2N2O2S2/c21-14-5-3-13(4-6-14)18-17-2-1-7-24-19(17)27-20(18)28(25,26)16-9-12(11-23)8-15(22)10-16/h1-10H.
What are the key properties of 3-fluoro-5-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
3-fluoro-5-[3-(4-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-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile is sourced from PubChem (CID 24899572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).