Basic information
- Standard SMILES
O=C1Nc2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc2C1=O- InChIKey
WWKKPLWKYQGHBF-LBPRGKRZSA-N- Molecular formula
- C18H16N2O5S
- Average molar mass
- 372.4 g/mol
Names & identifiers
- Preferred name
- (S)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
- IUPAC
- 5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione
Names & synonyms
(S)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dioneCHEMBL200767SCHEMBL4156166BDBM10338WWKKPLWKYQGHBF-LBPRGKRZSA-N5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
Database identifiers
- PubChem CID
- 11624920
- ChEMBL
CHEMBL200767
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 668
Related reactions
9 records
Compound notes
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