Diflumidone
Basic information
- CAS
22736-85-2- Standard SMILES
O=C(c1ccccc1)c1cccc(NS(=O)(=O)C(F)F)c1- InChIKey
JLBDOSAQLCZTSX-UHFFFAOYSA-N- Molecular formula
- C14H11F2NO3S
- Average molar mass
- 311.31 g/mol
- Monoisotopic mass
- 311.04277071
Overview
Diflumidone is a small molecule drug. Diflumidone has a monoisotopic molecular weight of 311.04 Da.
Names & identifiers
- Preferred name
- Diflumidone
- IUPAC
- N-(3-benzoylphenyl)-1,1-difluoromethanesulfonamide
- English name
- Diflumidone
- Molecular formula
- C14H11F2NO3S
- Molecular weight
- 311.3
Names & synonyms
Diflumidone22736-85-2DiflumidonaDiflumidonumE96467495SDTXSID90177275RefChem:133582DTXCID2099766N-(3-Benzoylphenyl)-1,1-difluoromethanesulfonamideR807Diflumidonum [INN-Latin]Diflumidone [INN:BAN]
Show more names
R-807R-807【pharmaceutical】
R 807 (Pharmaceutical)Diflumidona [INN-Spanish]BRN 2151784R 8073'-Benzoyl-1,1-difluoro-methanesulfonanilideMethanesulfonanilide, 3'-benzoyl-1,1-difluoro-UNII-E96467495SMethanesulfonamide, N-(3-benzoylphenyl)-1,1-difluoro-
Database identifiers
- CAS
22736-85-2- PubChem CID
- 31501
- DTXSID
DTXSID90177275- ChEMBL
CHEMBL2110671- UNII
- E96467495S
- Nikkaji
- J11.481B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Experimental & physicochemical properties
LogP2.86
Physicochemical properties
- Boiling point
- 438.8 · 438.8±55.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 5.26 · 5.26±0.50(Predicted)
- FDA UNII
- 96467495 S · E96467495S
Chemistry & industry
Applications
UsesDiflumidone, is a novel non-steroidal antiinflammatory drug.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…