chempirical

Succinylsulfathiazole

C13H13N3O5S2CAS 116-43-8355.38 g/mol

Open in Covalent MOL file
OHOOHNSOOHNNS
AmideCarboxylic acidSulfonamide

Properties

Molecular formula
C13H13N3O5S2
Molar mass
355.38 g/mol
Exact mass
355.0297 Da
Melting point
193.5 °C
logP
1.75Crippen estimate
Polar surface area
125.5 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
7

Identifiers

CAS number
116-43-8
SMILES
O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIKey
SKVLYVHULOWXTD-UHFFFAOYSA-N
InChI
InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)

Weigh it out

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

Names and synonyms

23 names · show all
  • Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-
  • Succinanilic acid, 4′-(2-thiazolylsulfamoyl)-
  • 4-Oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]butanoic acid
  • Kaoxidin
  • Kaoxidine
  • 2-(N4-Succinylsulfanilamido)thiazole
  • Succinylsulphathiazole
  • Sulfasuccithiazole
  • Sulfasuxidine
  • Sulfenterone
  • Thiacyl
  • 4′-(2-Thiazolylsulfamoyl)succinanilic acid
  • p-2-Thiazolylsulfamylsuccinanilic acid
  • Sulfasuccidine
  • Colistatin
  • Cremosuxidine
  • Rolsul
  • Sulfadigesin
  • Sulfasuccidin
  • Sulfasuccinil
  • NSC 14193
  • NSC 163939
  • 3-([4-[(1,3-Thiazol-2-yl)sulfamoyl]phenyl]carbamoyl)propanoic acid

Work with Succinylsulfathiazole

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

Phthalylsulfathiazole85-73-457 % similar Sulfathiazole72-14-052 % similar N-[(4-Methylphenyl)sulfonyl]glycine1080-44-034 % similar N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid4816-80-233 % similar 1-Phenyl-3-(2-thiazolyl)-2-thiourea14901-16-731 % similar γ-Oxo-2-thiophenebutanoic acid4653-08-131 % similar 4-(Methylsulfonyl)phenylacetic acid90536-66-631 % similar

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

Elsewhere

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