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

C13H10N2O2S — CID 45270766

IUPAC1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2ncccc21
InChIInChI=1S/C13H10N2O2S/c16-18(17,11-5-2-1-3-6-11)15-10-8-12-13(15)7-4-9-14-12/h1-10H
InChIKeyHGOGRVVSSAWHTO-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.27
Rot. Bonds2

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

1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine (PubChem CID 45270766) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine
PubChem CID45270766
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2ncccc21
InChIInChI=1S/C13H10N2O2S/c16-18(17,11-5-2-1-3-6-11)15-10-8-12-13(15)7-4-9-14-12/h1-10H
InChIKeyHGOGRVVSSAWHTO-UHFFFAOYSA-N
XLogP2.27
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)pyrrolo[3,2-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 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine (CID 45270766) is 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine is O=S(=O)(c1ccccc1)n1ccc2ncccc21.
What is the InChIKey of 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine?
The InChIKey is HGOGRVVSSAWHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-18(17,11-5-2-1-3-6-11)15-10-8-12-13(15)7-4-9-14-12/h1-10H.
What are the key properties of 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine?
1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine has a molecular weight of 258.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 45270766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).