4-Methanesulfonylamino-benzenesulfonamide

Base Information

• Chemical Name: 4-Methanesulfonylamino-benzenesulfonamide
• CAS No.: 4426-90-8
• Molecular Formula: C7H10N2O4S2
• Molecular Weight: 250.3
• DSSTox Substance ID: DTXSID60385527
• Nikkaji Number: J409.576F
• Wikidata: Q82178372
• Pharos Ligand ID: XTRS9FQU8ZKB
• ChEMBL ID: CHEMBL193648
• Mol file: 4426-90-8.mol

Synonyms:4-Methanesulfonylamino-benzenesulfonamide;CHEMBL193648;4426-90-8;4-[(methylsulfonyl)amino]benzenesulfonamide;D00NUK;Oprea1_082411;SCHEMBL6401783;DTXSID60385527;BDBM50174035;STK416772;AKOS002973885;4-(Methylsulfonamido)benzenesulfonamide;4-(Methylsulfonylamino)benzenesulfonamide;4-methanesulfonamidobenzene-1-sulfonamide;PD182247;CS-0303717;EN300-270546

Chemical Property of 4-Methanesulfonylamino-benzenesulfonamide

Chemical Property:

• PSA: 123.09000
• LogP: 2.64040
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 250.00819915
• Heavy Atom Count: 15
• Complexity: 395

Purity/Quality:

99% ^*data from raw 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)N

Technology Process of 4-Methanesulfonylamino-benzenesulfonamide

There total 2 articles about 4-Methanesulfonylamino-benzenesulfonamide 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:

methanesulfonyl chloride (124-63-0) + sulfanilamide (63-74-1) → 4-(methanesulfonamido)benzenesulfonamide (4426-90-8)

Guidance literature:

With pyridine;

DOI:10.1021/ja01864a022

Reference yield:

→ 4-(methanesulfonamido)benzenesulfonamide (4426-90-8)

Guidance literature:

4-Sulfonamidoanilin, Cl-SO2-CH3;

Reference yield: 89.0%

2,4,6-trimethoxybenzaldehyde (830-79-5) + 4-(methanesulfonamido)benzenesulfonamide (4426-90-8) → C17H22N2O7S2 (1041370-70-0)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2007.11.124

upstream raw materials:

methanesulfonyl chloride

sulfanilamide

Downstream raw materials:

N-[1-Ethoxy-meth-(E)-ylidene]-4-methanesulfonylamino-benzenesulfonamide

N-[1-[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethylamino]-meth-(Z)-ylidene]-4-methanesulfonylamino-benzenesulfonamide; hydrochloride

C₁₇H₂₂N₂O₇S₂

C₂₇H₂₃ClN₆O₆S₂