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

C18H9FN2O3S2 — CID 118729565

IUPAC3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
SMILESN#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccoc2)c1
InChIInChI=1S/C18H9FN2O3S2/c19-13-6-11(9-20)7-14(8-13)26(22,23)18-16(12-3-5-24-10-12)15-2-1-4-21-17(15)25-18/h1-8,10H
InChIKeyQNVSIKVDPAWSHM-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.40
Rot. Bonds3

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

3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile (PubChem CID 118729565) has the molecular formula C18H9FN2O3S2 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
PubChem CID118729565
Molecular FormulaC18H9FN2O3S2
Molecular Weight384.41 g/mol
Exact Mass384.00
IUPAC Name3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
SMILESN#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccoc2)c1
InChIInChI=1S/C18H9FN2O3S2/c19-13-6-11(9-20)7-14(8-13)26(22,23)18-16(12-3-5-24-10-12)15-2-1-4-21-17(15)25-18/h1-8,10H
InChIKeyQNVSIKVDPAWSHM-UHFFFAOYSA-N
XLogP4.40
TPSA83.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The IUPAC name of 3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile (CID 118729565) is 3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile.
What is the SMILES notation for 3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The canonical SMILES for 3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile is N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccoc2)c1.
What is the InChIKey of 3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The InChIKey is QNVSIKVDPAWSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9FN2O3S2/c19-13-6-11(9-20)7-14(8-13)26(22,23)18-16(12-3-5-24-10-12)15-2-1-4-21-17(15)25-18/h1-8,10H.
What are the key properties of 3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
3-fluoro-5-[3-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile has a molecular weight of 384.41 g/mol, XLogP of 4.40, 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-(furan-3-yl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile is sourced from PubChem (CID 118729565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).