1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine

C21H14N2O3S2 — CID 59812182

IUPAC1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3cccs3)cnc21
InChIInChI=1S/C21H14N2O3S2/c24-28(25,17-5-2-1-3-6-17)23-13-19(15-8-9-26-14-15)18-11-16(12-22-21(18)23)20-7-4-10-27-20/h1-14H
InChIKeyDBLPAFSVJIOAJT-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.26
Rot. Bonds4

About 1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 59812182) has the molecular formula C21H14N2O3S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine
PubChem CID59812182
Molecular FormulaC21H14N2O3S2
Molecular Weight406.49 g/mol
Exact Mass406.04
IUPAC Name1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3cccs3)cnc21
InChIInChI=1S/C21H14N2O3S2/c24-28(25,17-5-2-1-3-6-17)23-13-19(15-8-9-26-14-15)18-11-16(12-22-21(18)23)20-7-4-10-27-20/h1-14H
InChIKeyDBLPAFSVJIOAJT-UHFFFAOYSA-N
XLogP5.26
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine (CID 59812182) is 1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3cccs3)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is DBLPAFSVJIOAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3S2/c24-28(25,17-5-2-1-3-6-17)23-13-19(15-8-9-26-14-15)18-11-16(12-22-21(18)23)20-7-4-10-27-20/h1-14H.
What are the key properties of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 406.49 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59812182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).