Basic information
- CAS
53886-93-4- Standard SMILES
Cc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)c3nonc23)cc1- InChIKey
POUINNGRIOLASW-UHFFFAOYSA-N- Molecular formula
- C20H16N2O5S2
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.05006396
Names & identifiers
- Preferred name
- Benzofurazan, 4,7-bis((4-methylphenyl)sulfonyl)-
- IUPAC
- 4,7-bis-(4-methylphenyl)sulfonyl-2,1,3-benzoxadiazole
- English name
- 4,7-Bis[(4-methylphenyl)sulfonyl]benzofurazane
- Molecular formula
- C20H16N2O5S2
- Molecular weight
- 428.48
Names & synonyms
53886-93-44,7-Bis(p-tolylsulfonyl)benzofurazanBENZOFURAZAN, 4,7-BIS((4-METHYLPHENYL)SULFONYL)-Benzofurazan, 4,7-bis(p-tolylsulfonyl)-VM6LU97UKWNSC-228156NSC 228156BRN 0587596UNII-VM6LU97UKWDTXSID30202156NSC228156DB-305313
Show more names
4,7-Bis[(4-methylphenyl)sulfonyl]benzofurazane
Benzofurazan,7-bis[(4-methylphenyl)sulfonyl]-4,7-Bis[(4-methylphenyl)sulfonyl ]benzofurazane2,1,3-Benzoxadiazole, 4,7-bis[(4-methylphenyl)sulfonyl]-4,7-Bis(4-methylbenzene-1-sulfonyl)-2,1,3-benzoxadiazole4,7-Bis[(4-methylphenyl)sulfonyl]-2,1,3-benzoxadiazole
Database identifiers
- CAS
53886-93-4- PubChem CID
- 40916
- DTXSID
DTXSID30202156- UNII
- VM6LU97UKW
- Nikkaji
- J71.565D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 707
Physicochemical properties
- FDA UNII
- 6 LU97UKW · VM6LU97UKW
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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