chempirical

Phenyl J acid

C16H13NO4SCAS 119-40-4315.34 g/mol

Open in Covalent MOL file
OSOOHOHHN
PhenolSecondary amineSulfonic acid

Properties

Molecular formula
C16H13NO4S
Molar mass
315.34 g/mol
Exact mass
315.0565 Da
logP
3.54Crippen estimate
Polar surface area
86.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3

Identifiers

CAS number
119-40-4
SMILES
O=S(=O)(O)c1cc(O)c2ccc(Nc3ccccc3)cc2c1
InChIKey
YGNDWDUEMICDLW-UHFFFAOYSA-N
InChI
InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)9-11-8-13(6-7-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)

Weigh it out

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

Names and synonyms

18 names · show all
  • 2-Naphthalenesulfonic acid, 4-hydroxy-7-(phenylamino)-
  • 2-Naphthalenesulfonic acid, 7-anilino-4-hydroxy-
  • 1-Naphthol-3-sulfonic acid, 6-anilino-
  • 4-Hydroxy-7-(phenylamino)-2-naphthalenesulfonic acid
  • Phenyl I acid
  • 2-Phenylamino-5-naphthol-7-sulfonic acid
  • 5-Hydroxy-2-(phenylamino)-7-naphthalenesulfonic acid
  • 2-Anilino-5-hydroxy-7-naphthalenesulfonic acid
  • N-Phenyl I acid
  • N-Phenyl J acid
  • 7-Anilino-4-hydroxy-2-naphthalenesulfonic acid
  • 2-Anilino-5-naphthol-7-sulfonic acid
  • NSC 10451
  • NSC 1745
  • NSC 37153
  • 6-Phenylamino-1-hydroxynaphthalene-3-sulfonic acid
  • 6-(Phenylamino)-1-naphthol-3-sulfonic acid
  • 1-Hydroxy-6-anilinonaphthalene-3-sulfonic acid

Work with Phenyl J 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

N-Methyl J acid22346-43-668 % similar 4-Hydroxy-6-[(3-sulfophenyl)amino]-2-naphthalenesulfonic acid25251-42-767 % similar 7,7′-(Carbonyldiimino)bis[4-hydroxy-2-naphthalenesulfonic acid]134-47-465 % similar 1-Naphthol-3,6-disulfonic acid578-85-865 % similar 7-Amino-4-hydroxy-2-naphthalenesulfonic acid87-02-558 % similar 7-Acetamido-4-hydroxy-2-naphthalenesulfonic acid6334-97-050 % similar 5-Amino-1-hydroxy-3-naphthalenesulfonic acid489-78-148 % similar Gamma acid90-51-748 % similar

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

Same formula

Phenyl γ-acid119-19-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook