n1-{4-Methyl-2-[(phenylsulfonyl)amino]phenyl}benzene-1-sulfonamide

Base Information

• Chemical Name: n1-{4-Methyl-2-[(phenylsulfonyl)amino]phenyl}benzene-1-sulfonamide
• CAS No.: 91374-67-3
• Molecular Formula: C19H18N2O4S2
• Molecular Weight: 402.4872
• NSC Number: 94800
• DSSTox Substance ID: DTXSID80919787
• Wikidata: Q82892361
• ChEMBL ID: CHEMBL2139421

Synonyms:MLS002695267;91374-67-3;CHEMBL2139421;n1-{4-methyl-2-[(phenylsulfonyl)amino]phenyl}benzene-1-sulfonamide;NSC94800;Maybridge4_002102;Oprea1_250511;SCHEMBL7579963;DTXSID80919787;HMS1526P12;HMS3087C21;BDBM50345904;NSC-94800;STL573876;AKOS003887865;NCGC00176920-01;SMR001561174;N,N'-(4-Methyl-1,2-phenylene)dibenzenesulfonamide;BRD-K53870582-001-01-1;N,N'-(4-methylbenzene-1,2-diyl)dibenzenesulfonamide;N~1~-{4-METHYL-2-[(PHENYLSULFONYL)AMINO]PHENYL}-1-BENZENESULFONAMIDE

Chemical Property of n1-{4-Methyl-2-[(phenylsulfonyl)amino]phenyl}benzene-1-sulfonamide

Chemical Property:

• Boiling Point: 577°Cat760mmHg
• Flash Point: 302.7°C
• Density: 1.417g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 402.07079941
• Heavy Atom Count: 27
• Complexity: 670

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Technology Process of n1-{4-Methyl-2-[(phenylsulfonyl)amino]phenyl}benzene-1-sulfonamide

There total 2 articles about n1-{4-Methyl-2-[(phenylsulfonyl)amino]phenyl}benzene-1-sulfonamide 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:

4-methyl-1,2-diaminobenzene (496-72-0) + benzenesulfonyl chloride (98-09-9) → 4-methyl-N,N'-bis(phenylsulfonyl)-1,2-phenylenediamine (91374-67-3)

Guidance literature:

With alkaline solution;

Reference yield:

4-methyl-1,2-diaminobenzene (496-72-0) + benzenesulfonyl chloride (98-09-9) → 4-methyl-N,N'-bis(phenylsulfonyl)-1,2-phenylenediamine (91374-67-3)

Guidance literature:

Reference yield: 88.0%

4-methyl-N,N'-bis(phenylsulfonyl)-1,2-phenylenediamine (91374-67-3) → 2-methyl-5-phenylsulfonylamino-4-N-phenylsulfonyl-1,4-benzoquinone monoimine (91374-68-4)

Guidance literature:

With lead(IV) acetate; boron trifluoride diethyl etherate; In acetic acid; at 60 ℃; for 0.0833333h;

upstream raw materials:

4-methyl-1,2-diaminobenzene

benzenesulfonyl chloride

Downstream raw materials:

2-Methyl-5-benzenesulfonamido-N,N'-bis(phenylsulfonyl)-1,4-benzoquinone diimine

2-methyl-5-phenylsulfonylamino-4-N-phenylsulfonyl-1,4-benzoquinone monoimine

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