1-Benzenesulfonyl-pyrrolidine-3-carboxylic acid
Basic information
- CAS
1384643-33-7- Standard SMILES
O=C(O)C1CCN(S(=O)(=O)c2ccccc2)C1- InChIKey
JVDVDNNZPHRWQF-UHFFFAOYSA-N- Molecular formula
- C11H13NO4S
- Average molar mass
- 255.29 g/mol
Names & identifiers
- Preferred name
- 1-Benzenesulfonyl-pyrrolidine-3-carboxylic acid
- IUPAC
- 1-(benzenesulfonyl)pyrrolidine-3-carboxylic acid
- English name
- 1-Benzenesulfonyl-pyrrolidine-3-carboxylic acid
- Molecular formula
- C11H13NO4S
- Molecular weight
- 255.29
Names & synonyms
1384643-33-71-(Phenylsulfonyl)-3-pyrrolidinecarboxylic Acid1-(benzenesulfonyl)pyrrolidine-3-carboxylic acid1-BENZENESULFONYL-PYRROLIDINE-3-CARBOXYLIC ACID1-(Phenylsulfonyl)pyrrolidine-3-carboxylic acidJFC64333AKOS012330661CS-02702083-Pyrrolidinecarboxylic acid, 1-(phenylsulfonyl)-
Database identifiers
- CAS
1384643-33-7
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Boiling point
- 462.4 · 462.4±55.0 °C(Predicted)
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- pka
- 4.24 · 4.24±0.20(Predicted)
Chemistry & industry
Applications
Uses1-(Phenylsulfonyl)-3-pyrrolidinecarboxylic Acid is used as a reagent in the synthesis of substituted sulfonamide-carboxylic acids, carboxylic esters, carboxamides, and carbonitriles as herbicides for increasing stress tolerance in plants.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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