3-(indolin-1-ylsulfonyl)-N-(pyridin-4-yl)benzamide

HCID 24980452

Notes Reactions

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Basic information

Standard SMILES: O=C(Nc1ccncc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIKey: BQAPAOOOMKOHMO-UHFFFAOYSA-N
Molecular formula: C20H17N3O3S
Average molar mass: 379.4 g/mol

Names & identifiers

Preferred name: 3-(indolin-1-ylsulfonyl)-N-(pyridin-4-yl)benzamide
IUPAC: 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide

Names & synonyms

MLS001138685SCHEMBL665055CHEMBL1440113BQAPAOOOMKOHMO-UHFFFAOYSA-NHMS3038P12AKOS034633853SMR0007112563-(indolin-1-ylsulfonyl)-N-(pyridin-4-yl)benzamideZ85517255

Database identifiers

PubChem CID: 24980452
ChEMBL: CHEMBL1440113

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 87.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 627

Related reactions

2 records

New reaction record

HRID 1397963As productuspto-grants-2014_12

HRID 1482858As productuspto-grants-2016_08

Compound notes

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