2-(4-Fluorobenzenesulfonyl)acetamide oxime

C₈H₉FN₂O₃SCAS 175203-76-6232.23 g/mol

Open in Covalent MOL file

Amidine Aryl halide Oxime Sulfone

Properties

Molecular formula: C₈H₉FN₂O₃S
Molar mass: 232.23 g/mol
Exact mass: 232.0318 Da
logP: 0.35Crippen estimate
Polar surface area: 92.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3
Double bonds: ZE/Z, in SMILES order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175203-76-6

SMILES

C1=CC(=CC=C1F)S(=O)(=O)C/C(=N/O)/N

InChIKey

STPCRDRACVTHTE-UHFFFAOYSA-N

InChI

InChI=1S/C8H9FN2O3S/c9-6-1-3-7(4-2-6)15(13,14)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)

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Names and synonyms

1 names

2-((4-Fluorophenyl)sulfonyl)-N-hydroxyacetimidamide

Work with 2-(4-Fluorobenzenesulfonyl)acetamide oxime

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

(1Z)-N'-Hydroxy(4-methylbenzene-1-sulfonyl)ethanimidamide72660-98-169 % similar 2-Chloroethyl 4-fluorophenyl sulfone33330-46-044 % similar (4-Fluorobenzenesulfonyl)acetonitrile32083-66-243 % similar 4-Fluorobenzamidoxime22179-78-843 % similar 4-Fluorobenzenesulfonic acid368-88-738 % similar 4-Fluorobenzenesulfonamide402-46-038 % similar 2-(Benzenesulfonyl)acetamide35008-50-538 % similar 4,4′-Difluorodiphenyl sulfone383-29-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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