Basic information
- Standard SMILES
O=S(=O)(c1ccc(Oc2ccc(F)cc2F)c(Br)c1)N1CCCC1- InChIKey
IDBRYASKCDFPGP-UHFFFAOYSA-N- Molecular formula
- C16H14BrF2NO3S
- Average molar mass
- 418.3 g/mol
Names & identifiers
- Preferred name
- 1-((3-Bromo-4-(2,4-difluorophenoxy)phenyl)sulfonyl)pyrrolidine
- IUPAC
- 1-[3-bromo-4-(2,4-difluorophenoxy)phenyl]sulfonylpyrrolidine
Names & synonyms
SCHEMBL15066783IDBRYASKCDFPGP-UHFFFAOYSA-N1-((3-bromo-4-(2,4-difluorophenoxy)phenyl)sulfonyl)pyrrolidine
Database identifiers
- PubChem CID
- 89655620
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 524
Related reactions
1 records
Compound notes
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