N-(5-Chloro-9,10-dihydro-9,10-dioxo-1-anthryl)-p-toluenesulphonamide
Basic information
- CAS
82-14-4- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2cccc3c2C(=O)c2cccc(Cl)c2C3=O)cc1- InChIKey
AEYNFHFXCAPUQI-UHFFFAOYSA-N- Molecular formula
- C21H14ClNO4S
- Average molar mass
- 411.9 g/mol
- Monoisotopic mass
- 411.0332068
Names & identifiers
- Preferred name
- N-(5-Chloro-9,10-dihydro-9,10-dioxo-1-anthryl)-p-toluenesulphonamide
- IUPAC
- N-(5-chloro-9,10-dioxoanthracen-1-yl)-4-methylbenzenesulfonamide
- English name
- N-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthryl)-p-toluenesulphonamide
- Molecular formula
- C21H14ClNO4S
- Molecular weight
- 411.86
Names & synonyms
82-14-4N-(5-Chloro-9,10-dihydro-9,10-dioxo-1-anthryl)-p-toluenesulphonamideEINECS 201-397-5MF9KR9FH4Up-Toluenesulfonamide, N-(5-chloro-1-anthraquinonyl)-DTXSID50231504AEYNFHFXCAPUQI-UHFFFAOYSA-NBenzenesulfonamide, N-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methyl-N-(5-CHLORO-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL)-4-METHYLBENZENE-1-SULFONAMIDENS00038167N-(5-Chloro-1-anthraquinonyl)-p-toluenesulfonamideN-(5-Chloro-9,10-dihydro-9,10-dioxo-1-anthryl)-p-toluenesulfonamide
Show more names
1-Chloro-5-(4-tolylsulfamido)-anthraquinoneN-(5-Chloro-9,10-dihydro-9,10-dioxoanthracen-1-yl)-4-methylbenzenesulfonamide
N-(5-Chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methylbenzenesulfonamide
Database identifiers
- CAS
82-14-4- PubChem CID
- 66499
- DTXSID
DTXSID50231504- UNII
- MF9KR9FH4U
- EC Number
- 201-397-5
- Nikkaji
- J192.595D
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 725
Physicochemical properties
- Boiling point
- 634.7 · 634.7±65.0 °C(Predicted)
- Density
- 1.49 · 1.490±0.06 g/cm3(Predicted)
- pka
- 6.98 · 6.98±0.20(Predicted)
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Compound notes
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