1-[2-Nitro-4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylphenyl]pyrrolidine
Basic information
- CAS
14894-54-3- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1N1CCCC1- InChIKey
ZBWLNBBUUFUSRS-UHFFFAOYSA-N- Molecular formula
- C20H22N4O6S
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.12600561
Names & identifiers
- Preferred name
- 1-[2-Nitro-4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylphenyl]pyrrolidine
- IUPAC
- 1-[2-nitro-4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylphenyl]pyrrolidine
Names & synonyms
14894-54-3NSC143717Oprea1_068406DTXSID50933511AKOS000615159NSC-1437171,1'-[Sulfonylbis(2-nitro-4,1-phenylene)]dipyrrolidine
Database identifiers
- CAS
14894-54-3- PubChem CID
- 286035
- DTXSID
DTXSID50933511
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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