chempirical

Mesosulfuron-methyl

C17H21N5O9S2CAS 208465-21-8503.50 g/mol

Open in Covalent MOL file
OOHNSOOSOONHONHNOON
EsterEtherSulfonamide

Properties

Molecular formula
C17H21N5O9S2
Molar mass
503.50 g/mol
Exact mass
503.0781 Da
logP
-0.15Crippen estimate
Polar surface area
195.5 Ų
H-bond donors / acceptors
3 / 11
Rotatable bonds
9

Identifiers

CAS number
208465-21-8
SMILES
COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)NC(O)=Nc1nc(OC)cc(OC)n1
InChIKey
NIFKBBMCXCMCAO-UHFFFAOYSA-N
InChI
InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-[[(methylsulfonyl)amino]methyl]-, methyl ester
  • Mesomaxx
  • AE-F 130060-00
  • AE-F 130060
  • Shima

Work with Mesosulfuron-methyl

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

Primisulfuron-methyl86209-51-055 % similar Bensulfuron-methyl83055-99-654 % similar Sulfometuron methyl74222-97-253 % similar Chlorimuron-ethyl90982-32-451 % similar Foramsulfuron173159-57-449 % similar Halosulfuron-methyl100784-20-149 % similar Chlorimuron99283-00-847 % similar Pyrazosulfuron-ethyl93697-74-647 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook