Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(Oc2cc([N+](=O)[O-])c(N)cc2C2CCCN2C(=O)C(F)(F)F)cc1- InChIKey
HXCLMPNTXWNERT-UHFFFAOYSA-N- Molecular formula
- C19H18F3N3O6S
- Average molar mass
- 473.4 g/mol
Names & identifiers
- Preferred name
- 1-(2-(5-Amino-2-(4-methanesulfonyl-phenoxy)-4-nitro-phenyl)-pyrrolidin-1-yl)-2,2,2-trifluoro-ethanone
- IUPAC
- 1-[2-[5-amino-2-(4-methylsulfonylphenoxy)-4-nitrophenyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
Names & synonyms
1-(2-(5-amino-2-(4-methanesulfonyl-phenoxy)-4-nitro-phenyl)-pyrrolidin-1-yl)-2,2,2-trifluoro-ethanoneSCHEMBL2645937
Database identifiers
- PubChem CID
- 23145147
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 805
Related reactions
3 records
Compound notes
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