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

C19H11Cl2NO2S2 — CID 59159492

IUPAC3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1Cl)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H11Cl2NO2S2/c20-13-9-7-12(8-10-13)17-14-4-3-11-22-18(14)25-19(17)26(23,24)16-6-2-1-5-15(16)21/h1-11H
InChIKeyMSIWKPPAXDHGNA-UHFFFAOYSA-N
MW420.34 g/mol
LogP6.10
Rot. Bonds3

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

3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine (PubChem CID 59159492) has the molecular formula C19H11Cl2NO2S2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine
PubChem CID59159492
Molecular FormulaC19H11Cl2NO2S2
Molecular Weight420.34 g/mol
Exact Mass418.96
IUPAC Name3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1Cl)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H11Cl2NO2S2/c20-13-9-7-12(8-10-13)17-14-4-3-11-22-18(14)25-19(17)26(23,24)16-6-2-1-5-15(16)21/h1-11H
InChIKeyMSIWKPPAXDHGNA-UHFFFAOYSA-N
XLogP6.10
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)sulfonylthieno[2,3-b]pyridine
CID 24900078
3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine
CID 70848575
3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine
CID 59159487
[3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane
CID 143492380
2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine
CID 24899827
3-(4-chlorophenyl)-N-(4-ethenyl-2-methylhex-4-en-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 76667412
5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole
CID 4519824
3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one
CID 817895
5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole
CID 1473847
2-chloro-N-(4-chlorophenyl)-5-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzenesulfonamide
CID 142611674
2-bromo-4-(2-chlorophenyl)sulfonylpyridine
CID 166624895
5-chloroquinoline-8-sulfonyl chloride
CID 4206949

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine (CID 59159492) is 3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine is O=S(=O)(c1ccccc1Cl)c1sc2ncccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine?
The InChIKey is MSIWKPPAXDHGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2NO2S2/c20-13-9-7-12(8-10-13)17-14-4-3-11-22-18(14)25-19(17)26(23,24)16-6-2-1-5-15(16)21/h1-11H.
What are the key properties of 3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine?
3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine has a molecular weight of 420.34 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2-chlorophenyl)sulfonylthieno[2,3-b]pyridine is sourced from PubChem (CID 59159492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).