1H-Indole-7-sulfonamide

Base Information

• Chemical Name: 1H-Indole-7-sulfonamide
• CAS No.: 111048-64-7
• Molecular Formula: C₈H₈N₂O₂S
• Molecular Weight: 196.23
• Hs Code.: 2935909099
• DSSTox Substance ID: DTXSID90559214
• Wikidata: Q82441866
• Mol file: 111048-64-7.mol

Synonyms:1H-INDOLE-7-SULFONAMIDE;111048-64-7;1H-Indole-7-sulfonamide(9CI);SCHEMBL1018276;1H-Indole-7-sulfonic acid amide;DTXSID90559214;OZEDQORHGRJQAF-UHFFFAOYSA-N;AKOS015910924;CS-0351235;F18652;EN300-1629228

Chemical Property of 1H-Indole-7-sulfonamide

Chemical Property:

• Boiling Point: 474.8±37.0 °C(Predicted)
• PKA: 10.32±0.30(Predicted)
• PSA: 84.33000
• Density: 1.500±0.06 g/cm3(Predicted)
• LogP: 2.59640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 196.03064868
• Heavy Atom Count: 13
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

1H-Indole-7-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)S(=O)(=O)N)NC=C2

Technology Process of 1H-Indole-7-sulfonamide

There total 3 articles about 1H-Indole-7-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:

7-sulfonamide indoline (111048-65-8) → 1H-indole-7-sulfonamide (111048-64-7)

Guidance literature:

With manganese dioxide; In hexane; dichloromethane;

Reference yield:

1H-indole-7-sulfonyl chloride → 1H-indole-7-sulfonamide (111048-64-7)

Guidance literature:

With ammonium hydroxide; In acetone; at 0 ℃;

DOI:10.1016/j.bmcl.2004.11.041

Reference yield:

7-bromo-1H-indole (51417-51-7) → 1H-indole-7-sulfonamide (111048-64-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NH₃ / acetone / 0 °C

With ammonium hydroxide; In acetone;

DOI:10.1016/j.bmcl.2004.11.041

upstream raw materials:

7-bromo-1H-indole

7-sulfonamide indoline

Refernces

• 1、 -. "Herbicidal sulfonamides". . . Retrieved 2008/06/13.