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

C20H14ClNO2S2 — CID 24898608

IUPAC3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H14ClNO2S2/c1-13-4-10-16(11-5-13)26(23,24)20-18(14-6-8-15(21)9-7-14)17-3-2-12-22-19(17)25-20/h2-12H,1H3
InChIKeyPPBWTESUIGOEGY-UHFFFAOYSA-N
MW399.92 g/mol
LogP5.76
Rot. Bonds3

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

3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine (PubChem CID 24898608) has the molecular formula C20H14ClNO2S2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine
PubChem CID24898608
Molecular FormulaC20H14ClNO2S2
Molecular Weight399.92 g/mol
Exact Mass399.02
IUPAC Name3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H14ClNO2S2/c1-13-4-10-16(11-5-13)26(23,24)20-18(14-6-8-15(21)9-7-14)17-3-2-12-22-19(17)25-20/h2-12H,1H3
InChIKeyPPBWTESUIGOEGY-UHFFFAOYSA-N
XLogP5.76
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.92
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine (CID 24898608) is 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine is Cc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine?
The InChIKey is PPBWTESUIGOEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO2S2/c1-13-4-10-16(11-5-13)26(23,24)20-18(14-6-8-15(21)9-7-14)17-3-2-12-22-19(17)25-20/h2-12H,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine?
3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine has a molecular weight of 399.92 g/mol, XLogP of 5.76, 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-(4-methylphenyl)sulfonylthieno[2,3-b]pyridine is sourced from PubChem (CID 24898608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).