chempirical

2-[[(4-Fluorophenyl)methyl]sulfonyl]-N-hydroxyethanimidamide

C9H11FN2O3SCAS 175276-85-4246.26 g/mol

Open in Covalent MOL file
HNSOOFNHOH
AmidineAryl halideSulfone

Properties

Molecular formula
C9H11FN2O3S
Molar mass
246.26 g/mol
Exact mass
246.0474 Da
logP
0.70Crippen estimate
Polar surface area
90.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4

Identifiers

CAS number
175276-85-4
SMILES
N=C(CS(=O)(=O)Cc1ccc(F)cc1)NO
InChIKey
AVDGZDWBPJLTHN-UHFFFAOYSA-N
InChI
InChI=1S/C9H11FN2O3S/c10-8-3-1-7(2-4-8)5-16(14,15)6-9(11)12-13/h1-4,13H,5-6H2,(H2,11,12)

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Names and synonyms

4 names
  • Ethanimidamide, 2-[[(4-fluorophenyl)methyl]sulfonyl]-N-hydroxy-
  • 2-((4-Fluorobenzyl)sulfonyl)-N-hydroxyacetimidamide
  • 2-(4-Fluorobenzylsulphonyl)acetamidoxime
  • 2-((4-Fluorobenzyl)sulfonyl)-N′-hydroxyacetimidamide

Work with 2-[[(4-Fluorophenyl)methyl]sulfonyl]-N-hydroxyethanimidamide

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

2-[[(4-Fluorophenyl)methyl]sulfonyl]acetonitrile175276-84-345 % similar (4-Fluoro-phenyl)-methanesulfonyl chloride103360-04-940 % similar 4-Fluorobenzeneethanol7589-27-735 % similar (4-Fluorophenyl)acetic acid405-50-534 % similar 3-(4-Fluorophenyl)propionic acid459-31-433 % similar 2-[[[3-(Trifluoromethyl)phenyl]methyl]sulfonyl]ethanethioamide175276-83-233 % similar 4-Fluorobenzyl alcohol459-56-333 % similar 4-(4-Fluorophenyl)butanoic acid589-06-032 % similar

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

Elsewhere

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