chempirical

Sodium P-aminobenzenesulfonate

C6H6NNaO3SCAS 515-74-2195.17 g/mol

Open in Covalent MOL file
H2NSO−OONa+
Primary amineSulfonic acid

Properties

Molecular formula
C6H6NNaO3S
Molar mass
195.17 g/mol
Exact mass
194.9966 Da
logP
0.13Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
515-74-2
SMILES
Nc1ccc(S([O-])(=O)=O)cc1.[Na+]
InChIKey
IGWIEYXEWVUGCK-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO3S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzenesulfonic acid, 4-amino-, sodium salt (1:1)
  • Sulfanilic acid, monosodium salt
  • Benzenesulfonic acid, 4-amino-, monosodium salt
  • Aniline-p-sulfonic acid sodium salt
  • Sodium anilinesulfonate
  • Sodium sulfanilate
  • Monosodium sulfanilate
  • Sodium 4-aminobenzenesulfonate
  • Sulfanilic acid sodium salt
  • Sodium p-sulfanilic acid
  • Sodium aniline-4-sulfonate
  • 4-Aminobenzenesulfonic acid monosodium salt
  • MW 195

Work with Sodium P-aminobenzenesulfonate

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

Sodium benzenesulfonate515-42-459 % similar Sodium 4-methylbenzenesulfonate12068-03-059 % similar Sodium P-toluenesulfonate657-84-159 % similar Sodium 4-hydroxybenzenesulfonate825-90-159 % similar Sodium 2,4-diaminobenzenesulfonate3177-22-856 % similar Disodium 2,6-naphthalenedisulfonate1655-45-455 % similar Disodium 2,7-naphthalenedisulfonate1655-35-253 % similar Sodium P-phenolsulfonate dihydrate10580-19-553 % similar

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

Same formula

Sodium m-aminobenzenesulfonate1126-34-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook