4-(1h-Pyrrol-1-yl)benzenesulfonamide

Base Information

• Chemical Name: 4-(1h-Pyrrol-1-yl)benzenesulfonamide
• CAS No.: 5438-30-2
• Molecular Formula: C10H10 N2 O2 S
• Molecular Weight: 222.2636
• NSC Number: 404288,16670
• DSSTox Substance ID: DTXSID80280383
• Wikidata: Q82013653
• Mol file: 5438-30-2.mol

Synonyms:4-(1h-pyrrol-1-yl)benzenesulfonamide;5438-30-2;4-(1H-pyrrol-1-yl)benzene-1-sulfonamide;4-pyrrol-1-ylbenzenesulfonamide;NSC16670;Maybridge3_002421;Oprea1_256567;SCHEMBL2771870;NIOSH/DB3144000;p-(1-Pyrrolyl)benzenesulfonamide;DTXSID80280383;HMS1437O01;Benzenesulfonamide, p-(1-pyrrolyl)-;MFCD01762129;NSC 16670;NSC-16670;NSC404288;AKOS009096330;NSC 404288;NSC-404288;SB63395;IDI1_013808;LS-31711;CS-0234251;DB31440000;EN300-140096;F72218;Z198207602

Chemical Property of 4-(1h-Pyrrol-1-yl)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 6.21E-07mmHg at 25°C
• Boiling Point: 410°C at 760 mmHg
• Flash Point: 201.8°C
• Density: 1.35g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.04629874
• Heavy Atom Count: 15
• Complexity: 296

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=C1)C2=CC=C(C=C2)S(=O)(=O)N

Technology Process of 4-(1h-Pyrrol-1-yl)benzenesulfonamide

There total 2 articles about 4-(1h-Pyrrol-1-yl)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: 75.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + sulfanilamide (63-74-1) → (4-pyrrol-1-ylphenyl)sulfonamide (5438-30-2)

Guidance literature:

In acetic acid; Heating;

DOI:10.1002/ejic.200300724

Reference yield:

sulfanilamide (63-74-1) → (4-pyrrol-1-ylphenyl)sulfonamide (5438-30-2)

Guidance literature:

With acetic acid;

DOI:10.1021/ja01201a022

Reference yield: 100.0%

N-[(E)-4-bromo-2-butenyl]-N-(tert-butyloxycarbonyl)ferrocenylsulfonamide + (4-pyrrol-1-ylphenyl)sulfonamide (5438-30-2) → (E,E)-1,11-bis(tert-butyloxycarbonyl)-1,11-bis-(ferrocenylsulfonyl)-6-[(4-pyrrol-1-ylphenyl)sulfonyl]-1,6,11-triazaundeca-3,8-diene

Guidance literature:

With K₂CO₃; In acetonitrile; 2 eqiv. of Fe compd., refluxed for 16 h; elem. anal.;

DOI:10.1002/ejic.200300724

upstream raw materials:

sulfanilamide

cis,trans-2,5-dimethoxytetrahydrofuran

Downstream raw materials:

N,N-bis[(E)-4-bromo-2-butenyl](4-methylphenyl)sulfonamide

(E,E,E)-N,N'-bis[(4-methylphenyl)sulfonyl]-1,14-dibromo-5,10-diazatetradeca-2,7,12-triene

N-[(E)-4-bromo-2-butenyl]-N-(tert-butyloxycarbonyl)(4-pyrrol-1-ylphenyl)sulfonamide

(E,E,E)-1,6-bis[(4-methylphenyl)sulfonyl]-11-[(4-pyrrol-1-ylphenyl)sulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-triene