2-Aminobenzenesulfonamide

Base Information

• Chemical Name: 2-Aminobenzenesulfonamide
• CAS No.: 3306-62-5
• Molecular Formula: C6H8N2O2S
• Molecular Weight: 172.208
• Hs Code.: 29350090
• European Community (EC) Number: 221-988-1
• NSC Number: 36945
• UNII: YME8QXY8ED
• DSSTox Substance ID: DTXSID00186717
• Nikkaji Number: J43.330F
• Wikidata: Q27166410
• Pharos Ligand ID: 6JKN8U7CG849
• ChEMBL ID: CHEMBL6705
• Mol file: 3306-62-5.mol

Synonyms:2-aminobenzenesulfonamide

Chemical Property of 2-Aminobenzenesulfonamide

Chemical Property:

• Appearance/Colour: white to pale cream crystalline powder or crystals
• Vapor Pressure: 2.25E-06mmHg at 25°C
• Melting Point: 155-157 °C(lit.)
• Refractive Index: 1.627
• Boiling Point: 392.7 °C at 760 mmHg
• PKA: 10.29±0.60(Predicted)
• Flash Point: 191.3 °C
• PSA: 94.56000
• Density: 1.427 g/cm³
• LogP: 2.27850
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• Water Solubility.: 6.655g/L(24 oC)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.03064868
• Heavy Atom Count: 11
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

2-Aminobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 36/37/39-26-22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)S(=O)(=O)N
• Uses: Diuretic;Inhibitor of carbonic anhydrase B

Technology Process of 2-Aminobenzenesulfonamide

There total 18 articles about 2-Aminobenzenesulfonamide 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: 95.0%

2-Nitrobenzenesulfonamide (5455-59-4) → 2-AMINOBENZENESULFONAMIDE (3306-62-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 60 ℃; under 2585.81 Torr;

Reference yield: 86.0%

N-acetyl-2-aminobenzenesulfonamide (75304-18-6) → 2-AMINOBENZENESULFONAMIDE (3306-62-5)

Guidance literature:

With potassium hydroxide; In methanol; at 110 ℃; for 12h;

DOI:10.1002/adsc.201900573

Reference yield: 51.0%

2-benzyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide (72357-88-1) → 2-AMINOBENZENESULFONAMIDE (3306-62-5)

Guidance literature:

With sulfuric acid; at 140 ℃; for 12h;

upstream raw materials:

2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide

aniline

2-Nitrobenzenesulfonamide

N-chlorosulfonyl-N'-phenyl-urea

Downstream raw materials:

2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide

2-butyrylamino-benzenesulfonic acid amide

2-butyrylamino-benzenesulfonic acid butyrylamide

2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide

Refernces

• 1、 Etsè, Koffi Sénam,Zaragoza, Guillermo,Etsè, Kodjo Djidjolé. "Easy preparation of novel 3,3-dimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide: Molecular structure, Hirshfeld surface, NCI analyses and molecular docking on AMPA receptors". . . Retrieved 2021/04/27.
• 2、 -. "FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY". Page/Page column 51. . Retrieved 2019/03/17.