1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine

C15H12N2O2S — CID 23243183

IUPAC1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine
SMILESC=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O2S/c1-2-13-11-12-7-6-10-16-15(12)17(13)20(18,19)14-8-4-3-5-9-14/h2-11H,1H2
InChIKeyXKTFRTZOLAQYTD-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.92
Rot. Bonds3

About 1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine (PubChem CID 23243183) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine
PubChem CID23243183
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine
SMILESC=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O2S/c1-2-13-11-12-7-6-10-16-15(12)17(13)20(18,19)14-8-4-3-5-9-14/h2-11H,1H2
InChIKeyXKTFRTZOLAQYTD-UHFFFAOYSA-N
XLogP2.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine (CID 23243183) is 1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine is C=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine?
The InChIKey is XKTFRTZOLAQYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-2-13-11-12-7-6-10-16-15(12)17(13)20(18,19)14-8-4-3-5-9-14/h2-11H,1H2.
What are the key properties of 1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine has a molecular weight of 284.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-ethenylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 23243183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).