N-(2-Methoxy-5-nitrophenyl)-1-(methylsulfonyl)-2-pyrrolidinecarboxamide

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Basic information

CAS: 1236261-43-0
Standard SMILES: COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCN1S(C)(=O)=O
InChIKey: ZAVPOLZYXJEMHG-UHFFFAOYSA-N
Molecular formula: C13H17N3O6S
Average molar mass: 343.36 g/mol
Monoisotopic mass: 343.08380644

Names & identifiers

Preferred name: N-(2-Methoxy-5-nitrophenyl)-1-(methylsulfonyl)-2-pyrrolidinecarboxamide
IUPAC: N-(2-methoxy-5-nitrophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide

Names & synonyms

DTXSID301152649N-(2-Methoxy-5-nitrophenyl)-1-(methylsulfonyl)-2-pyrrolidinecarboxamide1236261-43-01-(Methanesulfonyl)-N-(2-methoxy-5-nitrophenyl)prolinamide

Database identifiers

CAS: 1236261-43-0
PubChem CID: 49698573
DTXSID: DTXSID301152649

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 130 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 555

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Compound notes

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