chempirical

7-Acetamido-4-hydroxy-2-naphthalenesulfonic acid

C12H11NO5SCAS 6334-97-0281.28 g/mol

Open in Covalent MOL file
OHNOHSOOHO
PhenolSulfonic acid

Properties

Molecular formula
C12H11NO5S
Molar mass
281.28 g/mol
Exact mass
281.0358 Da
logP
2.40Crippen estimate
Polar surface area
107.2 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Identifiers

CAS number
6334-97-0
SMILES
CC(O)=Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1
InChIKey
KKAMNIDZQVXDJV-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO5S/c1-7(14)13-9-2-3-11-8(4-9)5-10(6-12(11)15)19(16,17)18/h2-6,15H,1H3,(H,13,14)(H,16,17,18)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-
  • 2-Naphthalenesulfonic acid, 7-acetamido-4-hydroxy-
  • 1-Naphthol-3-sulfonic acid, 6-acetamido-
  • 7-(Acetylamino)-4-hydroxy-2-naphthalenesulfonic acid
  • 2-Acetylamino-5-naphthol-7-sulfonic acid
  • 6-Acetamido-1-naphthol-3-sulfonic acid
  • 2-(Acetylamino)-5-hydroxy-7-naphthalenesulfonic acid
  • 6-(Acetylamino)-1-hydroxy-3-naphthalenesulfonic acid
  • 2-Acetamido-5-naphthol-7-sulfonic acid
  • 3-(Acetylamino)-8-hydroxy-6-sulfonaphthalene
  • N-Acetyl-J-acid
  • 3-(Acetylamino)-8-hydroxy-6-naphthalenesulfonic acid
  • 2-Acetamido-5-hydroxy-7-naphthalenesulfonic acid
  • NSC 7567

Work with 7-Acetamido-4-hydroxy-2-naphthalenesulfonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Naphthol-3,6-disulfonic acid578-85-862 % similar 7-Amino-4-hydroxy-2-naphthalenesulfonic acid87-02-555 % similar N-Methyl J acid22346-43-655 % similar 7,7′-(Carbonyldiimino)bis[4-hydroxy-2-naphthalenesulfonic acid]134-47-453 % similar Phenyl J acid119-40-450 % similar 4-Acetamido-2-aminobenzenesulfonic acid88-64-250 % similar 5-Acetamido-2-aminobenzenesulfonic acid96-78-650 % similar Gamma acid90-51-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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