Basic information
- CAS
518301-97-8- Standard SMILES
CCc1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3OC)C(=O)c3ccccc32)cc1- InChIKey
VEBBDQBONDHECI-UHFFFAOYSA-N- Molecular formula
- C25H22N2O4S
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.13002836
Names & identifiers
- Preferred name
- 4-ethyl-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
- IUPAC
- 4-ethyl-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
- English name
- 4-ethyl-N-(3-(2-methoxyanilino)-4-oxo-1(4H)-naphthalenylidene)benzenesulfonamide
- Molecular formula
- C25H22N2O4S
- Molecular weight
- 446.52
Names & synonyms
EU-00818134-ethyl-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1(4H)-ylidene]benzene-1-sulfonamide4-ethyl-N-(3-(2-methoxyanilino)-4-oxo-1(4H)-naphthalenylidene)benzenesulfonamideBenzenesulfonamide, 4-ethyl-N-[3-[(2-methoxyphenyl)amino]-4-oxo-1(4H)-naphthalenylidene]-
Database identifiers
- CAS
518301-97-8- PubChem CID
- 4246338
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 836
Physicochemical properties
- Boiling point
- 618 · 618.0±65.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- -1.92 · -1.92±0.20(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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