Basic information
- CAS
21413-28-5- Standard SMILES
O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1S(=O)(=O)c1ccccc1- InChIKey
WMIAQXWVZFAYQL-UHFFFAOYSA-N- Molecular formula
- C21H16N2O4S
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.08307817
Names & identifiers
- Preferred name
- PC-796
- IUPAC
- 1-(benzenesulfonyl)-5,5-diphenylimidazolidine-2,4-dione
- English name
- 5,5-Diphenyl-1-phenylsulfonylhydantoin
- Molecular formula
- C21H16N2O4S
- Molecular weight
- 392.43
Names & synonyms
21413-28-55,5-Diphenyl-1-phenylsulfonylhydantoinPC-7961-phenylsulfonyl-5,5-diphenylhydantoinK757Y39D9ZHydantoin, 5,5-diphenyl-1-(phenylsulfonyl)-NSC-2880191-benzenesulfonyl-5,5-diphenylhydantoin2,4-Imidazolidinedione, 5,5-diphenyl-1-(phenylsulfonyl)-DTXSID80175684PC 796RefChem:170488
Show more names
5,5-Diphenyl-1-(phenylsulfonyl)-2,4-imidazolidinedione
DTXCID10981751-(benzenesulfonyl)-5,5-diphenylimidazolidine-2,4-dioneMLS003115584NSC288019NSC 288019UNII-K757Y39D9ZCHEMBL2141392SCHEMBL29521499
Database identifiers
- CAS
21413-28-5- PubChem CID
- 88892
- DTXSID
DTXSID80175684- ChEMBL
CHEMBL2141392- UNII
- K757Y39D9Z
- Nikkaji
- J54.012I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 678
Experimental & physicochemical properties
LogP1.93
Physicochemical properties
- Density
- 1.2675 · 1.2675 (rough estimate)
- refractive index
- 1.693 · 1.6930 (estimate)
- pka
- 4.92 · 4.92±0.10(Predicted)
- Water Solubility
- 1.8 mg/L · 1.8mg/L(37 ºC)
- FDA UNII
- 757 Y39D9Z · K757Y39D9Z
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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