Modafinil Sulfone
Basic information
- CAS
118779-53-6- Standard SMILES
NC(=O)CS(=O)(=O)C(c1ccccc1)c1ccccc1- InChIKey
ZESNOWZYHYRSRY-UHFFFAOYSA-N- Molecular formula
- C15H15NO3S
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.07726451
Names & identifiers
- Preferred name
- Modafinil Sulfone
- IUPAC
- 2-benzhydrylsulfonylacetamide
- English name
- 2-[(Diphenylmethyl)sulfonyl] Acetamide
- Molecular formula
- C15H15NO3S
- Molecular weight
- 289.35
Names & synonyms
Modafinil Sulfone2-(Benzhydrylsulfonyl)acetamide2-[(diphenylmethyl)sulfonyl]acetamideAcetamide, 2-((diphenylmethyl)sulfonyl)-UNII-946LME1J4SCRL 41056CRL-41056946LME1J4SDTXSID10424213MODAFINIL SULFONE [USP-RS]CRL41056MODAFINIL IMPURITY B [EP IMPURITY]
Show more names
ArModafinil IMpurity CModafinil EP impurity BModafinil Sulfone (30 mg)Modafinil Related CoMpound BModafinil USP Related Compound B2-[(Diphenylmethyl)sulphonyl]acetamide2-[(Diphenylmethyl)sulfonyl] Acetamide*Barbital Impurity 2 (Secbutabarbital)Acetamide, 2-[(diphenylmethyl)sulfonyl]-
2-((DIPHENYLMETHYL)SULFONYL)ACETAMIDEMODAFINIL SULFONE (USP-RS)MODAFINIL IMPURITY B (EP IMPURITY)RefChem:159286DTXCID40375047118779-53-62-benzhydrylsulfonylacetamide2-DIPHENYLMETHANESULFONYLACETAMIDE
Database identifiers
- CAS
118779-53-6- PubChem CID
- 6460146
- DTXSID
DTXSID10424213- ChEMBL
CHEMBL3559661- UNII
- 946LME1J4S
- Nikkaji
- J450.827K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Melting point
- 199 · 199-201°C
- Boiling point
- 572.6 · 572.6±50.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 14.52 · 14.52±0.40(Predicted)
- BRN
- 9199801 · 9199801
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C15H15NO3S/c16-14(17)11-20(18,19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
- InChIKey
- ZESNOWZYHYRSRY-UHFFFAOYSA-N
- SMILES
- NC(=O)CS(=O)(=O)C(c1ccccc1)c2ccccc2
- FDA UNII
- 946 LME1J4S · 946LME1J4S
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2930902000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesA metabolite of Modafinil, a central nervous system vigilance promoting agent, which possesses neuroprotective properties
UsesA metabolite of Modafinil (M482500), a central nervous system vigilance promoting agent, which possesses neuroprotective properties.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…