3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine

C20H13Cl2NO3S2 — CID 118729581

IUPAC3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine
SMILESCOc1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C20H13Cl2NO3S2/c1-26-17-11-10-16-18(12-2-4-13(21)5-3-12)20(27-19(16)23-17)28(24,25)15-8-6-14(22)7-9-15/h2-11H,1H3
InChIKeySJBMMSSMSSWBKR-UHFFFAOYSA-N
MW450.37 g/mol
LogP6.11
Rot. Bonds4

About 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine

3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine (PubChem CID 118729581) has the molecular formula C20H13Cl2NO3S2 and a molecular weight of 450.37 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine
PubChem CID118729581
Molecular FormulaC20H13Cl2NO3S2
Molecular Weight450.37 g/mol
Exact Mass448.97
IUPAC Name3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine
SMILESCOc1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C20H13Cl2NO3S2/c1-26-17-11-10-16-18(12-2-4-13(21)5-3-12)20(27-19(16)23-17)28(24,25)15-8-6-14(22)7-9-15/h2-11H,1H3
InChIKeySJBMMSSMSSWBKR-UHFFFAOYSA-N
XLogP6.11
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.37
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine (CID 118729581) is 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine is COc1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(Cl)cc3)sc2n1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine?
The InChIKey is SJBMMSSMSSWBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO3S2/c1-26-17-11-10-16-18(12-2-4-13(21)5-3-12)20(27-19(16)23-17)28(24,25)15-8-6-14(22)7-9-15/h2-11H,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine?
3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine has a molecular weight of 450.37 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-6-methoxythieno[2,3-b]pyridine is sourced from PubChem (CID 118729581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).