Benzoic acid, 4-(((1-ethyl-2-pyrrolidinylidene)amino)sulfonyl)-, methyl ester
Basic information
- CAS
126826-56-0- Standard SMILES
CCN1CCC/C1=N/S(=O)(=O)c1ccc(C(=O)OC)cc1- InChIKey
MGQOEFFHPBKNKJ-SQFISAMPSA-N- Molecular formula
- C14H18N2O4S
- Average molar mass
- 310.37 g/mol
- Monoisotopic mass
- 310.09872823
Names & identifiers
- Preferred name
- Benzoic acid, 4-(((1-ethyl-2-pyrrolidinylidene)amino)sulfonyl)-, methyl ester
- IUPAC
- methyl 4-[(Z)-(1-ethylpyrrolidin-2-ylidene)amino]sulfonylbenzoate
Names & synonyms
126826-56-0Benzoic acid, 4-(((1-ethyl-2-pyrrolidinylidene)amino)sulfonyl)-, methyl esterRefChem:1079089Methyl 4-(((1-ethyl-2-pyrrolidinylidene)amino)sulfonyl)benzoate
Database identifiers
- CAS
126826-56-0- PubChem CID
- 6510239
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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