4-Fluoro-2-methylbenzenesulfonamide

C₇H₈FNO₂SCAS 489-17-8189.20 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₇H₈FNO₂S
Molar mass: 189.20 g/mol
Exact mass: 189.0260 Da
logP: 0.78Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

489-17-8

SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)N

InChIKey

NNYVGGHJPLSSRQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H8FNO2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)

Weigh it out

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

Names and synonyms

1 names

4-Fluoro-2-methyl-benzenesulfonamide

Work with 4-Fluoro-2-methylbenzenesulfonamide

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-Difluorobenzenesulfonamide13656-60-564 % similar 2-Bromo-4-fluorobenzenesulfonamide351003-60-660 % similar 4-Fluoro-2-methylbenzenesulfonyl chloride7079-48-360 % similar 2,5-Difluorobenzenesulfonamide120022-63-159 % similar 2-Methylbenzenesulfonamide88-19-755 % similar 4-Chloro-2,5-dimethylbenzenesulfonamide219689-73-349 % similar 5-Amino-2-methylbenzenesulfonamide6973-09-749 % similar 3-Fluorobenzenesulfonamide1524-40-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook