1-benzenesulfonyl-3-(3,4-dimethoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine

HCID 57891789
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Basic information

Standard SMILES
COc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cc1OC
InChIKey
OGOOIJQZGVSMBH-UHFFFAOYSA-N
Molecular formula
C21H18N2O4S
Average molar mass
394.4 g/mol
Monoisotopic mass
394.09872823

Names & identifiers

Preferred name
1-benzenesulfonyl-3-(3,4-dimethoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine
IUPAC
1-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridine

Names & synonyms

SCHEMBL4333431OGOOIJQZGVSMBH-UHFFFAOYSA-N1-benzenesulfonyl-3-(3,4-dimethoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine

Database identifiers

PubChem CID
57891789

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
78.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
28

Related reactions

3 records
New reaction record

Linked notes

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