3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile

C20H11ClN2O2S2 — CID 24898611

IUPAC3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
SMILESN#Cc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H11ClN2O2S2/c21-15-8-6-14(7-9-15)18-17-5-2-10-23-19(17)26-20(18)27(24,25)16-4-1-3-13(11-16)12-22/h1-11H
InChIKeyCWRLFOJCFRYVJX-UHFFFAOYSA-N
MW410.91 g/mol
LogP5.32
Rot. Bonds3

About 3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile

3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile (PubChem CID 24898611) has the molecular formula C20H11ClN2O2S2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
PubChem CID24898611
Molecular FormulaC20H11ClN2O2S2
Molecular Weight410.91 g/mol
Exact Mass410.00
IUPAC Name3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile
SMILESN#Cc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H11ClN2O2S2/c21-15-8-6-14(7-9-15)18-17-5-2-10-23-19(17)26-20(18)27(24,25)16-4-1-3-13(11-16)12-22/h1-11H
InChIKeyCWRLFOJCFRYVJX-UHFFFAOYSA-N
XLogP5.32
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.91
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The IUPAC name of 3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile (CID 24898611) is 3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile.
What is the SMILES notation for 3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The canonical SMILES for 3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile is N#Cc1cccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
The InChIKey is CWRLFOJCFRYVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClN2O2S2/c21-15-8-6-14(7-9-15)18-17-5-2-10-23-19(17)26-20(18)27(24,25)16-4-1-3-13(11-16)12-22/h1-11H.
What are the key properties of 3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile?
3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile has a molecular weight of 410.91 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylbenzonitrile is sourced from PubChem (CID 24898611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).