4-[(Methylsulfonyl)amino]benzenesulfonyl chloride

Base Information

• Chemical Name: 4-[(Methylsulfonyl)amino]benzenesulfonyl chloride
• CAS No.: 93345-21-2
• Molecular Formula: C7H8ClNO4S2
• Molecular Weight: 269.73
• European Community (EC) Number: 875-528-5
• DSSTox Substance ID: DTXSID10541414
• Wikidata: Q82417778
• Mol file: 93345-21-2.mol

Synonyms:93345-21-2;4-[(methylsulfonyl)amino]benzenesulfonyl chloride;4-(methanesulfonamido)benzenesulfonyl chloride;4-methanesulfonamidobenzene-1-sulfonyl chloride;4-(Methylsulfonamido)benzene-1-sulfonyl chloride;SCHEMBL8415404;DTXSID10541414;WHPYBOQWWLLDDH-UHFFFAOYSA-N;MFCD09048309;AKOS000132303;4-methylsulfonamidobenzenesulfonyl chloride;CS-0250640;EN300-51714;4-(Methylsulfonamido)benzene-1-sulfonylchloride;4-[(Methanesulfonyl)amino]benzene-1-sulfonyl chloride

Chemical Property of 4-[(Methylsulfonyl)amino]benzenesulfonyl chloride

Chemical Property:

• Melting Point: 149-150 °C
• Boiling Point: 404.8±47.0 °C(Predicted)
• PSA: 97.07000
• Density: 1.619±0.06 g/cm3(Predicted)
• LogP: 3.22020
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 268.9583278
• Heavy Atom Count: 15
• Complexity: 397

Purity/Quality:

99% ^*data from raw suppliers

4-[(Methylsulfonyl)amino]benzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl

Technology Process of 4-[(Methylsulfonyl)amino]benzenesulfonyl chloride

There total 2 articles about 4-[(Methylsulfonyl)amino]benzenesulfonyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.0%

N-phenylmethanesulfonamide (1197-22-4) → 4-[(methylsulfonyl)amino]benzenesulfonyl chloride (93345-21-2)

Guidance literature:

With chlorosulfonic acid; -10 to 0 deg C, 1h, then 0 deg C, 2 h;

Reference yield: 25.0%

p-(methylsulfonamido)aniline (53250-82-1) → 4-[(methylsulfonyl)amino]benzenesulfonyl chloride (93345-21-2)

Guidance literature:

p-(methylsulfonamido)aniline; With hydrogenchloride; acetic acid; sodium nitrite; In water; at -5 ℃; for 0.25h;

With sulfur dioxide; copper(l) chloride; In water; at 5 - 20 ℃;

DOI:10.1021/jm020230j

Reference yield: 90.0%

(2-hydroxyethyl)(methyl)amine (109-83-1) + 4-[(methylsulfonyl)amino]benzenesulfonyl chloride (93345-21-2) → N-<4-<sulfonyl>phenyl>methanesulfonamide (138490-56-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 ℃; for 4h;

DOI:10.1021/jm00082a011

upstream raw materials:

N-phenylmethanesulfonamide

p-(methylsulfonamido)aniline

Downstream raw materials:

N-<4-<sulfonyl>phenyl>methanesulfonamide

4-[(methylsulfonyl)amino]-N-[2-(2-pyrimidinylamino)ethyl]benzenesulfonamide

N-[4-[[4-(1-methyl-1H-benzimidazol-2-yl)-1-piperazinyl]sulfonyl]phenyl]methanesulfonamide

N-methyl-N-<2-(methylqyinolin-2-ylamino)ethyl>-4-<(methylsulfonyl)amino>benzenesulfonamide