1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone

C15H12N2O3S — CID 67155777

IUPAC1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O3S/c1-11(18)14-10-12-6-5-9-16-15(12)17(14)21(19,20)13-7-3-2-4-8-13/h2-10H,1H3
InChIKeyVFWNUFYHQIUTFS-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.48
Rot. Bonds3

About 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone

1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone (PubChem CID 67155777) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone
PubChem CID67155777
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O3S/c1-11(18)14-10-12-6-5-9-16-15(12)17(14)21(19,20)13-7-3-2-4-8-13/h2-10H,1H3
InChIKeyVFWNUFYHQIUTFS-UHFFFAOYSA-N
XLogP2.48
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone 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 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone (CID 67155777) is 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone is CC(=O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone?
The InChIKey is VFWNUFYHQIUTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-11(18)14-10-12-6-5-9-16-15(12)17(14)21(19,20)13-7-3-2-4-8-13/h2-10H,1H3.
What are the key properties of 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone?
1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone has a molecular weight of 300.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 67155777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).