4-Bromo-N-methylbenzenesulfonamide

To a stirred solution of Methyl amine hydrochloride salt (0.13 g, 1.97 mmol) in DCM, DIPEA (0.52 mL, 2.95 mmol) and 4-bromobenzene-1-sulfonyl chloride (0.25 g, 0.98 mmol) were added and reaction allowed to stir at RT for 16 h. Progress of reaction was monitored by TLC. On completion, reaction mixture was quenched with water and extracted with DCM. The organic layer was dried on sodium sulfate and concentrated under reduced pressure to 1-bromo-4-(methylaminosulfonyl)benzene(0.220 g, 89.74percent) as yellow semisolid. (0432) MS: 248.0 [MIn a 100-mL round-bottomed flask, 4-bromobenzenesulfonyl chloride (1 g, 4 mmol, Sigma-Aldrich, India) was dissolved in DCM (10 mL) at rt under nitrogen atmosphere. Triethylamine (1.7 mL, 7.8 mmol, SD Fine-Chem, India) and methylamine hydrochloride (350 mg, 5.46 mmol, Sigma-Aldrich, India) were added sequentially to the above solution at rt under nitrogen atmosphere. The reaction mixture was stirred at rt under nitrogen atmosphere for 2 h. The reaction mixture was diluted with ice-cold water (10 mL) and DCM (20 mL). The organic layer was separated, washed with water and brine, dried over anhydrous Na5-(4-[(Methylamino)sulfonyliphenyl)-2-(2-phenylethyl) pentanoic acida) Synthesis of 4-Bromo-λ/-methylbenzenesulfonamide. MeNHTo a stirred solution of 4-bromobenzene-l-sulfony chloride (BY; 2.5 g, 9.78 mmol) in CHTo a solution of 4-bromobenzene-1-sulfonyl chloride (3 g, 11.74 mmol) in DCM (20 mL) at 0°C was added methylamine (29 mL of a 2M solution in THF, 58.7 mmol) and the reaction mixture and stirred at room temperature for 18 hours. The reaction mixture was diluted with DCM (100 mL) and washed with ammonium chloride solution (20 mL). The organic layer was collected and dried overmagnesium sulfate, filtered and concentrated in vacuo. The resulting emulsion was purified by silica gel chromatography eluting with 0-40percent Heptane: ethyl acetate to yield the desired compound as a white solid (2.7 g, 92percent yield). ‘H NMR (250 MHz, DMSO-d6) 7.91 — 7.79 (m, 2H), 7.79 — 7.65 (m, 2H), 7.56 (s, 1H), 2.43 (s, 3H).To synthesize compound 67, to a solution of 4-bromosulfonyl chloride (5.0 g, 20 mmol) in DCM (30 mL) was added methyl amine (2 M in THF, 20 mL, 40 mmol). The mixture was stirred at room temperature for 1 h and then the solvent was removed. A saturated NaHCO4-Bromobenzene sulfonyl chloride (0.40 g, 1.56 mmol) and methylamine (10 mL, 33percent in ethanol) were stirred in a sealed tube for 16 hours. To a stirring solution of 4-bromobenzenesulfonyl chloride (2.0 g, 7.8 mmol, Sigma-Aldrich, St. Louis, MO) and DIEA (1.50 mL, 8.61 mmol) in CH

Molecular Weight:250.12
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:248.94591
Monoisotopic Mass:248.94591
Topological Polar Surface Area:54.6
Heavy Atom Count:12
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes