chempirical

3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic acid

C8H10N2O5SCAS 40306-75-0246.24 g/mol

Open in Covalent MOL file
OHNSOOHONH2HO
PhenolPrimary amineSulfonic acid

Properties

Molecular formula
C8H10N2O5S
Molar mass
246.24 g/mol
Exact mass
246.0310 Da
logP
0.83Crippen estimate
Polar surface area
133.2 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
2

Identifiers

CAS number
40306-75-0
SMILES
CC(O)=Nc1cc(S(=O)(=O)O)cc(N)c1O
InChIKey
SFUJTLIHMWZDTL-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O5S/c1-4(11)10-7-3-5(16(13,14)15)2-6(9)8(7)12/h2-3,12H,9H2,1H3,(H,10,11)(H,13,14,15)

Weigh it out

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

Names and synonyms

10 names
  • Benzenesulfonic acid, 3-(acetylamino)-5-amino-4-hydroxy-
  • 6-(Acetylamino)-2-aminophenol-4-sulfonic acid
  • 6-Acetylamino-2-amino-1-hydroxybenzene-4-sulfonic acid
  • 3-(Acetylamino)-2-hydroxyaniline-5-sulfonic acid
  • 3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid
  • 6-(Acetylamino)-2-amino-4-sulfophenol
  • 3-Acetamido-2-hydroxyaniline-5-sulfonic acid
  • 6-Acetamido-2-aminophenol-4-sulfonic acid
  • NSC 229313
  • 3-Amino-5-acetamido-4-hydroxybenzene-1-sulfonic acid

Work with 3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic 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

2-Aminophenol-4,6-disulfonic acid120-98-955 % similar 3-Amino-2-hydroxy-5-sulfobenzoic acid6201-86-154 % similar 4-Acetamido-2-aminobenzenesulfonic acid88-64-250 % similar 5-Acetamido-2-aminobenzenesulfonic acid96-78-650 % similar 3,5-Diamino-4-methylbenzenesulfonic acid98-25-948 % similar 3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid96-93-547 % similar 7-Acetamido-4-hydroxy-2-naphthalenesulfonic acid6334-97-045 % similar H Acid90-20-043 % similar

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

Elsewhere

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