Basic information
- Standard SMILES
CS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2=O)c1- InChIKey
XTDGEDZBHXAHMB-UHFFFAOYSA-N- Molecular formula
- C12H13NO5S
- Average molar mass
- 283.3 g/mol
- Monoisotopic mass
- 283.05144369
Names & identifiers
- Preferred name
- 3-Methylsulfonyl-5-(2-oxopyrrolidin-1-yl)benzoic acid
- IUPAC
- 3-methylsulfonyl-5-(2-oxopyrrolidin-1-yl)benzoic acid
Names & synonyms
SCHEMBL5219104XTDGEDZBHXAHMB-UHFFFAOYSA-NDB-1358493-Methylsulfonyl-5-(2-oxopyrrolidin-1-yl)benzoic acid3-(Methylsulfonyl)-5-(2-oxopyrrolidin-1-yl)benzoic acid3-Methanesulfonyl-5-(2-oxo-pyrrolidin-1-yl)-benzoic acid537032-04-5
Database identifiers
- PubChem CID
- 21074199
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 481
Related reactions
4 records
Compound notes
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