chempirical

Sulfadimethoxine sodium

C12H13N4NaO4SCAS 1037-50-9332.31 g/mol

Open in Covalent MOL file
ON−SOONH2NONNa+
EtherPrimary amineSulfonamide

Properties

Molecular formula
C12H13N4NaO4S
Molar mass
332.31 g/mol
Exact mass
332.0555 Da
logP
0.50Crippen estimate
Polar surface area
116.4 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
5

Identifiers

CAS number
1037-50-9
SMILES
COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)nc(OC)n1.[Na+]
InChIKey
QMKDRDOUCFKMHP-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N4O4S.Na/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9;/h3-7H,13H2,1-2H3,(H,14,15,16);

Weigh it out

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

Names and synonyms

6 names
  • Sulfanilamide, N1-(2,6-dimethoxy-4-pyrimidinyl)-, monosodium salt
  • Benzenesulfonamide, 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-, monosodium salt
  • Sodium, [N1-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamido]-
  • Sodium sulfadimethoxine
  • Sulfadimethoxine sodium salt
  • Benzenesulfonamide, 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-, sodium salt (1:1)

Work with Sulfadimethoxine sodium

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

Sulfadimethoxine122-11-256 % similar Sulfadimidine sodium1981-58-452 % similar Sodium sulfamethoxazole4563-84-252 % similar Sulfachloropyridazine sodium23282-55-548 % similar Monosodium 2-sulfanilamido-4-methylpyrimidine127-58-246 % similar Sulfadiazine sodium547-32-046 % similar Sodium sulfathiazole144-74-144 % similar Sodium sulfacetamide127-56-042 % similar

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

Elsewhere

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