chempirical

4-Fluoro-3-nitrobenzenesulfonamide

C6H5FN2O4SCAS 406233-31-6220.17 g/mol

Open in Covalent MOL file
SOONH2N+OO−F
Aryl halideNitroSulfonamide

Properties

Molecular formula
C6H5FN2O4S
Molar mass
220.17 g/mol
Exact mass
219.9954 Da
logP
0.38Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
406233-31-6
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])F
InChIKey
FAYVDRRKPVJSPE-UHFFFAOYSA-N
InChI
InChI=1S/C6H5FN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13)

Weigh it out

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

Work with 4-Fluoro-3-nitrobenzenesulfonamide

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

1,1′-Sulfonylbis[4-fluoro-3-nitrobenzene]312-30-170 % similar 1-Fluoro-4-(methylsulfonyl)-2-nitrobenzene453-72-565 % similar 4-Methyl-3-nitrobenzenesulfonamide6949-23-165 % similar 4-Chloro-3-nitrobenzenesulfonamide97-09-665 % similar 3,4-Difluorobenzenesulfonamide108966-71-858 % similar 2,5-Difluoronitrobenzene364-74-957 % similar 4-Fluoro-3-nitroaniline364-76-156 % similar 4-Nitrobenzenesulfonamide6325-93-555 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook