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Basic information
- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)C2=CC(=O)c3ccccc3C2=O)cc1- InChIKey
ATKGIBHIKAWDOX-UHFFFAOYSA-N- Molecular formula
- C18H13NO5S
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.05144369
Names & identifiers
- Preferred name
- 2-[4-Acetamidophenylsulfonyl]-1,4-naphthoquinone
- IUPAC
- N-[4-(1,4-dioxonaphthalen-2-yl)sulfonylphenyl]acetamide
Names & synonyms
NSC110764ATKGIBHIKAWDOX-UHFFFAOYSA-NNSC-1107642-[4-Acetamidophenylsulfonyl]-1,4-naphthoquinoneN-(4-[(1,4-Dioxo-1,4-dihydro-2-naphthalenyl)sulfonyl]phenyl)acetamide #
Database identifiers
- PubChem CID
- 269581
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 710
Related reactions
0 records
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Compound notes
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