5-Acetamido-2-aminobenzenesulfonic acid

C8H10N2O4SCAS 96-78-6230.24 g/mol

Open in Covalent MOL file
OHNNH2SOOOH
Primary amineSulfonic acid

Properties

Molecular formula
C8H10N2O4S
Molar mass
230.24 g/mol
Exact mass
230.0361 Da
logP
1.12Crippen estimate
Polar surface area
113.0 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 11 ECHA notifiers. Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
96-78-6
SMILES
CC(O)=Nc1ccc(N)c(S(=O)(=O)O)c1
InChIKey
PHRVJZNHPVJYOM-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O4S/c1-5(11)10-6-2-3-7(9)8(4-6)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzenesulfonic acid, 5-(acetylamino)-2-amino-
  • Benzenesulfonic acid, 5-acetamido-2-amino-
  • 5-(Acetylamino)-2-aminobenzenesulfonic acid
  • 5-Acetamidoorthanilic acid
  • N4-Acetyl-2-sulfo-p-phenylenediamine
  • 4-Aminoacetanilide-3-sulfonic acid
  • 5-Acetylamino-2-aminobenzene-1-sulfonic acid
  • 4-(Acetylamino)aniline-2-sulfonic acid
  • 2-Amino-5-(acetylamino)benzenesulfonic acid
  • 4-Amino-3-sulfoacetanilide
  • 4-Acetamido-2-sulfoaniline
  • NSC 36988
  • 2-Amino-5-acetamidobenzene-1-sulfonic acid

Work with 5-Acetamido-2-aminobenzenesulfonic 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

Fast yellow ab101-50-858 % similar 5-Acetamidoanthranilic acid50670-83-255 % similar 2-Amino-5-methylbenzenesulfonic acid88-44-854 % similar Aniline-2,4-disulfonic acid137-51-953 % similar 2,5-Diaminobenzenesulfonic acid88-45-953 % similar 2-Amino-5-methoxybenzenesulfonic acid13244-33-251 % similar N-(3-Amino-4-chlorophenyl)acetamide51867-83-551 % similar N-(4-Amino-3-(trifluoromethyl)phenyl)acetamide1579-89-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(6R-Trans)-7-Amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid15690-38-7 Asulam3337-71-1 N-Methyl-4-nitrobenzenemethanesulfonamide85952-29-0 4-Acetamido-2-aminobenzenesulfonic acid88-64-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook