Ethyl 4-{[(9,10-dioxo-9,10-dihydro-2-anthracenyl)sulfonyl]amino}benzoate
Basic information
- CAS
791787-58-1- Standard SMILES
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1- InChIKey
JJNWENYAMZPZOP-UHFFFAOYSA-N- Molecular formula
- C23H17NO6S
- Average molar mass
- 435.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-{[(9,10-dioxo-9,10-dihydro-2-anthracenyl)sulfonyl]amino}benzoate
- IUPAC
- ethyl 4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]benzoate
- English name
- ethyl 4-{[(9,10-dioxo-9,10-dihydro-2-anthracenyl)sulfonyl]amino}benzoate
- Molecular formula
- C23H17NO6S
- Molecular weight
- 435.45
Names & synonyms
ETHYL 4-(9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONAMIDO)BENZOATEethyl 4-{[(9,10-dioxo-9,10-dihydro-2-anthracenyl)sulfonyl]amino}benzoateMFCD00586945AKOS001694513AG-690/10102017SR-01000113832SR-01000113832-1ethyl 4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]benzoateBenzoic acid, 4-[[(9,10-dihydro-9,10-dioxo-2-anthracenyl)sulfonyl]amino]-, ethyl ester
Database identifiers
- CAS
791787-58-1
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 810
Physicochemical properties
- Boiling point
- 654.6 · 654.6±65.0 °C(Predicted)
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- pka
- 6.32 · 6.32±0.20(Predicted)
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Compound notes
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