chempirical

Sodium 2-phenylindole-5-sulfonate

C14H10NNaO3SCAS 119205-39-9295.29 g/mol

Open in Covalent MOL file
O−SOONHNa+
Sulfonic acid

Properties

Molecular formula
C14H10NNaO3S
Molar mass
295.29 g/mol
Exact mass
295.0279 Da
logP
2.70Crippen estimate
Polar surface area
70.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
119205-39-9
SMILES
[O-]S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)cc2c1.[Na+]
InChIKey
OGUBOLKGBKSEPF-UHFFFAOYSA-N
InChI
InChI=1S/C14H11NO3S.Na/c16-19(17,18)12-6-7-13-11(8-12)9-14(15-13)10-4-2-1-3-5-10;/h1-9,15H,(H,16,17,18);

Weigh it out

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

Names and synonyms

2 names
  • 1H-Indole-5-sulfonic acid, 2-phenyl-, sodium salt (1:1)
  • 1H-Indole-5-sulfonic acid, 2-phenyl-, monosodium salt

Work with Sodium 2-phenylindole-5-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 2-naphthalenesulfonate532-02-556 % similar Disodium 2,6-naphthalenedisulfonate1655-45-454 % similar Disodium 2,7-naphthalenedisulfonate1655-35-253 % similar Formaldehyde-β-naphthalenesulfonic acid polymer sodium salt36290-04-750 % similar Sodium 1,3,6-naphthalenetrisulfonate5182-30-949 % similar Sodium benzenesulfonate515-42-449 % similar Disodium m-benzenedisulfonate831-59-447 % similar Disodium 1,6-naphthalenedisulfonate1655-43-247 % similar

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

Elsewhere

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