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

C20H11FN2O2S2 — CID 24899071

IUPAC3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
SMILESN#Cc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2cccc(F)c2)c1
InChIInChI=1S/C20H11FN2O2S2/c21-15-6-2-5-14(11-15)18-17-8-3-9-23-19(17)26-20(18)27(24,25)16-7-1-4-13(10-16)12-22/h1-11H
InChIKeyYCLZQJKSBXPABZ-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.81
Rot. Bonds3

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

3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile (PubChem CID 24899071) has the molecular formula C20H11FN2O2S2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
PubChem CID24899071
Molecular FormulaC20H11FN2O2S2
Molecular Weight394.45 g/mol
Exact Mass394.02
IUPAC Name3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
SMILESN#Cc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2cccc(F)c2)c1
InChIInChI=1S/C20H11FN2O2S2/c21-15-6-2-5-14(11-15)18-17-8-3-9-23-19(17)26-20(18)27(24,25)16-7-1-4-13(10-16)12-22/h1-11H
InChIKeyYCLZQJKSBXPABZ-UHFFFAOYSA-N
XLogP4.81
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The IUPAC name of 3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile (CID 24899071) is 3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile.
What is the SMILES notation for 3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The canonical SMILES for 3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile is N#Cc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2cccc(F)c2)c1.
What is the InChIKey of 3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The InChIKey is YCLZQJKSBXPABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11FN2O2S2/c21-15-6-2-5-14(11-15)18-17-8-3-9-23-19(17)26-20(18)27(24,25)16-7-1-4-13(10-16)12-22/h1-11H.
What are the key properties of 3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile has a molecular weight of 394.45 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile is sourced from PubChem (CID 24899071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).