chempirical

3-(Methylsulfonyl)-2-oxo-1-imidazolidinecarbonyl chloride

C5H7ClN2O4SCAS 41762-76-9226.63 g/mol

Open in Covalent MOL file
SOONNOClO
Acyl halideSulfonamideUrea

Properties

Molecular formula
C5H7ClN2O4S
Molar mass
226.63 g/mol
Exact mass
225.9815 Da
logP
0.04Crippen estimate
Polar surface area
74.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
41762-76-9
SMILES
CS(=O)(=O)N1CCN(C(=O)Cl)C1=O
InChIKey
ZWTPALHHEULAPI-UHFFFAOYSA-N
InChI
InChI=1S/C5H7ClN2O4S/c1-13(11,12)8-3-2-7(4(6)9)5(8)10/h2-3H2,1H3

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Names and synonyms

9 names
  • 1-Imidazolidinecarbonyl chloride, 3-(methylsulfonyl)-2-oxo-
  • 1-(Chlorocarbonyl)-3-mesyl-2-oxoimidazolidine
  • 3-Mesyl-2-oxo-1-imidazolidinecarbonyl chloride
  • 3-(Methylsulfonyl)-2-oxoimidazolidine-1-carbonyl chloride
  • 1-Chlorocarbonyl-3-methylsulfonylimidazolidin-2-one
  • 3-(Methylsulfonyl)imidazolidin-2-one-1-carbonyl chloride
  • 3-Chlorocarbonyl-1-methanesulfonyl-2-imidazolidinone
  • 1-Chloroformyl-3-methanesulfonyl-2-imidazolidinone
  • 3-Methanesulfonyl-2-oxoimidazolidine-1-carbonyl chloride

Work with 3-(Methylsulfonyl)-2-oxo-1-imidazolidinecarbonyl chloride

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

4-Ethyl-2,3-dioxo-1-piperazinecarbonyl chloride59703-00-337 % similar 1-(Methylsulfonyl)-2-imidazolidinone41730-79-434 % similar N-Ethyl-N-methylcarbamic chloride42252-34-632 % similar 2-Oxo-1-imidazolidinecarbonyl chloride13214-53-432 % similar 1-Pyrrolidinecarbonyl chloride1192-63-831 % similar Diethylcarbamoyl chloride88-10-831 % similar

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

Elsewhere

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