chempirical

Phenyl γ-acid

C16H13NO4SCAS 119-19-7315.34 g/mol

Open in Covalent MOL file
OSOOHOHNH
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
119-19-7
SMILES
O=S(=O)(O)c1cc(O)c2cc(Nc3ccccc3)ccc2c1
InChIKey
QEAYLNJEDDOYNQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)8-11-6-7-13(9-15(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

13 names · show all
  • 2-Naphthalenesulfonic acid, 4-hydroxy-6-(phenylamino)-
  • 2-Naphthalenesulfonic acid, 6-anilino-4-hydroxy-
  • 4-Hydroxy-6-(phenylamino)-2-naphthalenesulfonic acid
  • 7-Anilino-1-hydroxy-3-naphthalenesulfonic acid
  • 2-(Phenylamino)-8-hydroxynaphthalene-6-sulfonic acid
  • 8-Hydroxy-2-(phenylamino)-6-naphthalenesulfonic acid
  • 2-Anilino-8-hydroxy-6-naphthalenesulfonic acid
  • 6-Anilino-4-hydroxy-2-naphthalenesulfonic acid
  • 7-(Phenylamino)-1-naphthol-3-sulfonic acid
  • N-Phenylgamma acid
  • NSC 8668
  • NSC 37154
  • NSC 8660

Work with Phenyl γ-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-Hydroxy-6-[(3-sulfophenyl)amino]-2-naphthalenesulfonic acid25251-42-783 % similar Gamma acid90-51-758 % similar N-Methyl J acid22346-43-654 % similar 1-Naphthol-3,6-disulfonic acid578-85-853 % similar 7,7′-(Carbonyldiimino)bis[4-hydroxy-2-naphthalenesulfonic acid]134-47-452 % similar 7-Amino-4-hydroxy-2-naphthalenesulfonic acid87-02-548 % similar Chromotropic acid148-25-448 % similar 8-Hydroxy-1,6-naphthalenedisulfonic acid117-43-146 % similar

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

Same formula

Phenyl J acid119-40-4

Elsewhere

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