3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine

C18H11ClN2O2S2 — CID 24898837

IUPAC3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine
SMILESO=S(=O)(c1cccnc1)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClN2O2S2/c19-13-7-5-12(6-8-13)16-15-4-2-10-21-17(15)24-18(16)25(22,23)14-3-1-9-20-11-14/h1-11H
InChIKeyFTWXIPSHLYHPMN-UHFFFAOYSA-N
MW386.89 g/mol
LogP4.84
Rot. Bonds3

About 3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine

3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine (PubChem CID 24898837) has the molecular formula C18H11ClN2O2S2 and a molecular weight of 386.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine
PubChem CID24898837
Molecular FormulaC18H11ClN2O2S2
Molecular Weight386.89 g/mol
Exact Mass386.00
IUPAC Name3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine
SMILESO=S(=O)(c1cccnc1)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClN2O2S2/c19-13-7-5-12(6-8-13)16-15-4-2-10-21-17(15)24-18(16)25(22,23)14-3-1-9-20-11-14/h1-11H
InChIKeyFTWXIPSHLYHPMN-UHFFFAOYSA-N
XLogP4.84
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine (CID 24898837) is 3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine is O=S(=O)(c1cccnc1)c1sc2ncccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine?
The InChIKey is FTWXIPSHLYHPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2S2/c19-13-7-5-12(6-8-13)16-15-4-2-10-21-17(15)24-18(16)25(22,23)14-3-1-9-20-11-14/h1-11H.
What are the key properties of 3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine?
3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine has a molecular weight of 386.89 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-pyridin-3-ylsulfonylthieno[2,3-b]pyridine is sourced from PubChem (CID 24898837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).