chempirical

5-Amino-2-(phenylamino)benzenesulfonic acid

C12H12N2O3SCAS 91-30-5264.30 g/mol

Open in Covalent MOL file
H2NNHSOOOH
Primary amineSecondary amineSulfonic acid

Properties

Molecular formula
C12H12N2O3S
Molar mass
264.30 g/mol
Exact mass
264.0569 Da
logP
2.26Crippen estimate
Polar surface area
92.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3

Identifiers

CAS number
91-30-5
SMILES
Nc1ccc(Nc2ccccc2)c(S(=O)(=O)O)c1
InChIKey
HYLOSPCJTPLXSF-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O3S/c13-9-6-7-11(12(8-9)18(15,16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2,(H,15,16,17)

Weigh it out

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

Names and synonyms

11 names
  • Benzenesulfonic acid, 5-amino-2-(phenylamino)-
  • Benzenesulfonic acid, 5-amino-2-anilino-
  • 5-Amino-2-anilinobenzenesulfonic acid
  • 4-Aminodiphenylamine-2-sulfonic acid
  • 6-Anilinometanilic acid
  • N-Phenyl-p-phenylenediamine-2-sulfonic acid
  • 4-Amino-1,1′-diphenylamine-2-sulfonic acid
  • 4-Amino-2-sulfodiphenylamine
  • 2-(Phenylamino)-5-aminobenzenesulfonic acid
  • NSC 15359
  • NSC 37076

Work with 5-Amino-2-(phenylamino)benzenesulfonic 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

4,4′-Diaminodiphenylamine-2-sulfonic acid119-70-083 % similar 2-[(4-Aminophenyl)amino]-5-nitrobenzenesulfonic acid91-29-258 % similar 2,4-Diaminodiphenylamine136-17-458 % similar 2,5-Diaminobenzenesulfonic acid88-45-958 % similar 2,2′-Benzidinedisulfonic acid117-61-355 % similar 2,4-Diaminobenzenesulfonic acid88-63-154 % similar 8-Anilinonaphthalene-1-sulfonic acid82-76-852 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-751 % similar

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

Elsewhere

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