4-Fluoro-3-nitrobenzenesulfonamide

C₆H₅FN₂O₄SCAS 406233-31-6220.17 g/mol

Open in Covalent MOL file

Aryl halide Nitro Sulfonamide

Properties

Molecular formula: C₆H₅FN₂O₄S
Molar mass: 220.17 g/mol
Exact mass: 219.9954 Da
logP: 0.38Crippen estimate
Polar surface area: 103.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

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