chempirical

Iguratimod

C17H14N2O6SCAS 123663-49-0374.37 g/mol

Open in Covalent MOL file
SOOHNONHOOO
EtherSulfonamide

Properties

Molecular formula
C17H14N2O6S
Molar mass
374.37 g/mol
Exact mass
374.0573 Da
logP
3.17Crippen estimate
Polar surface area
118.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

Identifiers

CAS number
123663-49-0
SMILES
CS(=O)(=O)Nc1cc2occ(N=CO)c(=O)c2cc1Oc1ccccc1
InChIKey
ANMATWQYLIFGOK-UHFFFAOYSA-N
InChI
InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)

Weigh it out

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

Names and synonyms

8 names
  • Methanesulfonamide, N-[3-(formylamino)-4-oxo-6-phenoxy-4H-1-benzopyran-7-yl]-
  • N-[3-(Formylamino)-4-oxo-6-phenoxy-4H-1-benzopyran-7-yl]methanesulfonamide
  • T 614
  • 3-Formylamino-7-methylsulfonylamino-6-phenoxy-4H-1-benzopyran-4-one
  • N-[3-(Formylamino)-4-oxo-6-phenoxy-4H-chromen-7-yl]methanesulfonamide
  • T 614 (Antiinflammatory)
  • Careram
  • Kolbet

Work with Iguratimod

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

Nimesulide51803-78-240 % similar Amsacrine51264-14-331 % similar B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid756520-78-230 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook