saccharin   Click here for help

GtoPdb Ligand ID: 5432

Synonyms: benzosulfimide | saccharimide
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 71.62
Molecular weight 183
XLogP 0.45
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1NS(=O)(=O)c2c1cccc2
Isomeric SMILES O=C1NS(=O)(=O)c2c1cccc2
InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
InChI Key CVHZOJJKTDOEJC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,3-dihydro-1$l^{6},2-benzothiazole-1,1,3-trione
Synonyms Click here for help
benzosulfimide | saccharimide
Database Links Click here for help
BitterDB Ligand 125
CAS Registry No. 81-07-2
ChEBI CHEBI:32111
ChEMBL Ligand CHEMBL310671
GtoPdb PubChem SID 178102084
PubChem CID 5143
RCSB PDB Ligand LSA
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Wikipedia Saccharin