chempirical

Barium diphenylamine-4-sulfonate

C24H20BaN2O6S2CAS 6211-24-1633.88 g/mol

Open in Covalent MOL file
O−SOONHO−SOONHBa2+
Secondary amineSulfonic acid

Properties

Molecular formula
C24H20BaN2O6S2
Molar mass
633.88 g/mol
Exact mass
633.9815 Da
logP
2.30Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
6211-24-1
SMILES
[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1.[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1.[Ba+2]
InChIKey
CTWPNQULKVDWQS-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO3S.Ba/c14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h1-9,13H,(H,14,15,16);

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

Names and synonyms

4 names
  • Benzenesulfonic acid, 4-(phenylamino)-, barium salt (2:1)
  • Sulfanilic acid, N-phenyl-, barium salt (2:1)
  • N-Phenylsufanilic acid barium salt
  • Diphenylamine-4-sulfonic acid barium salt

Work with Barium diphenylamine-4-sulfonate

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 diphenylamine-4-sulfonate6152-67-683 % similar Acid orange 5554-73-469 % similar Sodium benzenesulfonate515-42-455 % similar Metanil yellow587-98-455 % similar N,N′-Diphenyl-P-phenylenediamine74-31-746 % similar C.I. Mordant black 131324-21-644 % similar Diphenylamine122-39-443 % similar 8-Anilino-1-naphthalenesulfonate magnesium salt18108-68-442 % similar

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

Elsewhere

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