Basic information
- CAS
16808-85-8- Standard SMILES
CC(=O)N(OS(=O)(=O)O)c1ccc2c(c1)Cc1ccccc1-2- InChIKey
VAQHXJKAFOKQTD-UHFFFAOYSA-N- Molecular formula
- C15H13NO5S
- Average molar mass
- 319.3 g/mol
- Monoisotopic mass
- 319.05144369
Overview
2-acetamidofluorene N-sulfate is a hydroxylamine O-sulfonic acid. It is functionally related to a hydroxylamine and a 2-acetamidofluorene.
Names & identifiers
- Preferred name
- Acetyl-9H-fluoren-2-ylazanyl hydrogen sulfate
- IUPAC
- [acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate
- English name
- 2-acetylaminofluorene-N-sulfate
- Molecular formula
- C15H13NO5S
- Molecular weight
- 319.33
Names & synonyms
2-Acetylaminofluorene-N-sulfate2-Acetylaminofluorene N-sulfateN-(Sulfoxy)-2-fluorenylacetamideN-Sulfonyloxy-2-acetylaminofluorene16808-85-82-AAF-N-SN-sulfooxy-2-acetylaminofluoreneDTXSID80168475N-(sulfooxy)-2-fluorenylacetamideN-sulfonoxy-2-AAFN-(sulfooxy)-2-FAARefChem:914979
Show more names
N-SULPHOOXY-2-ACETYLAMINOFLUORENEN-SULPHONOXY-2-ACETYLAMINOFLUORENEN-(9H-Fluoren-2-yl)-N-sulfooxyacetamideN-(sulfonatooxy)-N-acetyl-2-aminofluoreneSulfuric acid, mono(acetyl-9H-fluoren-2-ylazanyl) ester
DTXCID0090966Acetyl-9H-fluoren-2-ylazanyl hydrogen sulfate2-acetamidofluorene N-sulfateN-(9H-fluoren-2-yl)-N-(sulfooxy)acetamideN-Sulfonoxy-aafAcetylaminofluorene-N-sulfateN-(9H-fluoren-2-yl)-N-acetylhydroxylamine-O-sulfonic acid[acetyl(9H-fluoren-2-yl)amino] hydrogen sulfate
Database identifiers
- CAS
16808-85-8
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Density
- 1.3711 · 1.3711 (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
Chemistry & industry
Pharmacology
Metabolism/Metabolites2-Acetylaminofluorene-N-sulfate is a known human metabolite of N-Hydroxy-2-acetamidofluorene.
Upstream & downstream products
Downstream products
Suppliers1 total
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: 2-acetamidofluorene N-sulfate is a hydroxylamine O-sulfonic acid. It is functionally related to a 2-acetamidofluorene and a hydroxylamine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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