chempirical

Sulfasalazine

C18H14N4O5SCAS 599-79-1398.39 g/mol

Open in Covalent MOL file
OHONNSOONHNHO
AzoCarboxylic acidPhenolSulfonamide

Properties

Molecular formula
C18H14N4O5S
Molar mass
398.39 g/mol
Exact mass
398.0685 Da
Melting point
220 °C
logP
3.70Crippen estimate
Polar surface area
141.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
6

Identifiers

CAS number
599-79-1
SMILES
O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O
InChIKey
NCEXYHBECQHGNR-UHFFFAOYSA-N
InChI
InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)

Weigh it out

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

Names and synonyms

29 names · show all
  • Benzoic acid, 2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]-
  • 2-Hydroxy-5-[2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]benzoic acid
  • Azopyrin
  • Azopyrine
  • Azulfidine
  • 5-[p-(2-Pyridylsulfamoyl)phenylazo]salicylic acid
  • 5-[4-(2-Pyridylsulfamyl)phenylazo]-2-hydroxybenzoic acid
  • 5-[p-(2-Pyridylsulfamyl)phenylazo]salicylic acid
  • Salazopyrin
  • Sulphasalazine
  • Salazosulfapyridine
  • Salicylazosulfapyridine
  • Sulfasalazin
  • Salazosulfapyridin
  • Benzosulfa
  • Reupirin
  • Salazopyridin
  • Salisulf
  • Salazopyrine
  • 2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl)azo)benzoic acid
  • Colo-pleon
  • NSC 203730
  • NSC 667219
  • Azulfidine EN
  • Azulfin
  • Sulazine
  • 2-Hydroxy-5-((4-(N-(pyridin-2-yl)sulfamoyl)phenyl)diazenyl)benzoic acid
  • Benzoic acid, 2-hydroxy-5-[2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]-
  • Salicylic acid, 5-[[p-(2-pyridylsulfamoyl)phenyl]azo]-

Work with Sulfasalazine

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

Olsalazine15722-48-254 % similar Sulfapyridine144-83-247 % similar Mordant orange 12243-76-746 % similar Balsalazide80573-04-245 % similar 2-[[(3-Amino-4-hydroxyphenyl)sulfonyl]amino]benzoic acid91-35-045 % similar 5-Sulfosalicylic acid97-05-242 % similar C.I. Mordant yellow 106054-99-540 % similar Phthalylsulfathiazole85-73-439 % similar

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

Elsewhere

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