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

C19H10Cl3NO2S2 — CID 24899069

IUPAC6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1sc2nc(Cl)ccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H10Cl3NO2S2/c20-12-3-1-11(2-4-12)17-15-9-10-16(22)23-18(15)26-19(17)27(24,25)14-7-5-13(21)6-8-14/h1-10H
InChIKeyZKEJXEGNZQQABY-UHFFFAOYSA-N
MW454.79 g/mol
LogP6.76
Rot. Bonds3

About 6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine

6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine (PubChem CID 24899069) has the molecular formula C19H10Cl3NO2S2 and a molecular weight of 454.79 g/mol. Its IUPAC name is 6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine
PubChem CID24899069
Molecular FormulaC19H10Cl3NO2S2
Molecular Weight454.79 g/mol
Exact Mass452.92
IUPAC Name6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1sc2nc(Cl)ccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H10Cl3NO2S2/c20-12-3-1-11(2-4-12)17-15-9-10-16(22)23-18(15)26-19(17)27(24,25)14-7-5-13(21)6-8-14/h1-10H
InChIKeyZKEJXEGNZQQABY-UHFFFAOYSA-N
XLogP6.76
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.79
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine?
The IUPAC name of 6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine (CID 24899069) is 6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine?
The canonical SMILES for 6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine is O=S(=O)(c1ccc(Cl)cc1)c1sc2nc(Cl)ccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine?
The InChIKey is ZKEJXEGNZQQABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl3NO2S2/c20-12-3-1-11(2-4-12)17-15-9-10-16(22)23-18(15)26-19(17)27(24,25)14-7-5-13(21)6-8-14/h1-10H.
What are the key properties of 6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine?
6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine has a molecular weight of 454.79 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridine is sourced from PubChem (CID 24899069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).