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

C19H12ClNO2S2 — CID 24898610

IUPAC2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12ClNO2S2/c20-14-10-8-13(9-11-14)17-16-7-4-12-21-18(16)24-19(17)25(22,23)15-5-2-1-3-6-15/h1-12H
InChIKeyMKYHDEIKPXQRQQ-UHFFFAOYSA-N
MW385.90 g/mol
LogP5.45
Rot. Bonds3

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

2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine (PubChem CID 24898610) has the molecular formula C19H12ClNO2S2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine
PubChem CID24898610
Molecular FormulaC19H12ClNO2S2
Molecular Weight385.90 g/mol
Exact Mass385.00
IUPAC Name2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12ClNO2S2/c20-14-10-8-13(9-11-14)17-16-7-4-12-21-18(16)24-19(17)25(22,23)15-5-2-1-3-6-15/h1-12H
InChIKeyMKYHDEIKPXQRQQ-UHFFFAOYSA-N
XLogP5.45
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.90
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[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 2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine?
The IUPAC name of 2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine (CID 24898610) is 2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine?
The canonical SMILES for 2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine is O=S(=O)(c1ccccc1)c1sc2ncccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine?
The InChIKey is MKYHDEIKPXQRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO2S2/c20-14-10-8-13(9-11-14)17-16-7-4-12-21-18(16)24-19(17)25(22,23)15-5-2-1-3-6-15/h1-12H.
What are the key properties of 2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine?
2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine has a molecular weight of 385.90 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-(4-chlorophenyl)thieno[2,3-b]pyridine is sourced from PubChem (CID 24898610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).