chempirical

Dofetilide

C19H27N3O5S2CAS 115256-11-6441.56 g/mol

Open in Covalent MOL file
NONHSOONHSOO
EtherSulfonamideTertiary amine

Properties

Molecular formula
C19H27N3O5S2
Molar mass
441.56 g/mol
Exact mass
441.1392 Da
Melting point
147–149 °C
logP
1.98Crippen estimate
Polar surface area
104.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
11

Identifiers

CAS number
115256-11-6
SMILES
CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
InChIKey
IXTMWRCNAAVVAI-UHFFFAOYSA-N
InChI
InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3

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

Names and synonyms

4 names
  • Methanesulfonamide, N-[4-[2-[methyl[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]-
  • N-[4-[2-[Methyl[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
  • UK 68798
  • Tikosyn

Work with Dofetilide

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

N-Methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]benzeneethanamine115287-37-152 % similar N-Phenylmethanesulfonamide1197-22-440 % similar [4-(Methylsulfonamido)phenyl]boronic acid380430-57-938 % similar Dronedarone141626-36-037 % similar 4-[2-(Dimethylamino)ethoxy]benzenemethanamine20059-73-837 % similar N-[4-(2-Chloroacetyl)phenyl]methanesulfonamide64488-52-437 % similar N-[3-(Dipropylamino)phenyl]methanesulfonamide186453-43-035 % similar Sotalol3930-20-934 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook