N-Phenylbenzenesulfonamide

Base Information

• Chemical Name: N-Phenylbenzenesulfonamide
• CAS No.: 1678-25-7
• Molecular Formula: C12H11NO2S
• Molecular Weight: 233.291
• Hs Code.: 2935009090
• European Community (EC) Number: 216-832-4
• NSC Number: 48357,30178
• UNII: W8ZF9FCZ3K
• DSSTox Substance ID: DTXSID00168371
• Nikkaji Number: J35.596H
• Wikidata: Q63395760
• ChEMBL ID: CHEMBL83148
• Mol file: 1678-25-7.mol

Synonyms:N-Phenylbenzenesulfonamide;Benzenesulfonanilide;1678-25-7;Benzenesulfonamide, N-phenyl-;Benzoylsulfanilide;N-Phenylbenzenesulphonamide;Benzenesulfoanilide;Benzensulfonanilide;BENZENESULFANILIDE;N-Phenyl-benzenesulfonamide;Phenyl(Phenylsulfonyl)Amine;NSC 30178;EINECS 216-832-4;NSC 48357;W8ZF9FCZ3K;BRN 1819414;CHEMBL83148;150667-28-0;MFCD00035919;NSC-30178;NSC-48357;WLN: WSR&MR;EC 216-832-4;4-12-00-01050 (Beilstein Handbook Reference);Benzenesulfonamide, N-phenyl-, radical ion(1+) (9CI);Enamine_005698;UNII-W8ZF9FCZ3K;benzenesulfonamide,n-phenyl-;n-phenyl-benzene-sulfonamide;SCHEMBL114765;Benzenesulphonamide, N-phenyl-;XAUGWFWQVYXATQ-UHFFFAOYSA-;DTXSID00168371;N~1~-phenyl-1-benzenesulfonamide;HMS1410C22;BAA67825;NSC30178;NSC48357;BDBM50078825;STK032376;AKOS000385542;IDI1_007933;s10394;AS-59825;LS-31722;SY055351;B0029;CS-0179726;EU-0000482;FT-0633759;N-Phenylbenzenesulfonamidebenzenesulfonanilide;EN300-15971;AB00023751-01;A810908;SR-01000392025;SR-01000392025-1;W-109694;Q63395760;Z45619473

Chemical Property of N-Phenylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 5.12E-06mmHg at 25°C
• Melting Point: 110 °C
• Refractive Index: 1.635
• Boiling Point: 381.312 °C at 760 mmHg
• PKA: 8.51±0.10(Predicted)
• Flash Point: 184.411 °C
• PSA: 54.55000
• Density: 1.307 g/cm³
• LogP: 3.64120
• Solubility.: soluble in Methanol
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.05104977
• Heavy Atom Count: 16
• Complexity: 296

Purity/Quality:

99.9% ^*data from raw suppliers

N-Phenylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Phenylbenzenesulfonamide

There total 89 articles about N-Phenylbenzenesulfonamide 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: 100.0%

aniline (62-53-3) + benzenesulfonyl chloride (98-09-9) → N-phenylbenzenesulfonamide (1678-25-7)

Guidance literature:

With pyridine; at 0 - 25 ℃;

DOI:10.1002/anie.201702205

Reference yield: 98.0%

thiophenol (108-98-5) + aniline (62-53-3) → N-phenylbenzenesulfonamide (1678-25-7)

Guidance literature:

thiophenol; With dihydrogen peroxide; zirconium(IV) chloride; In acetonitrile; at 25 ℃;

aniline; With pyridine; In acetonitrile; at 25 ℃; for 0.0333333h; chemoselective reaction;

DOI:10.1016/j.tetlet.2010.07.056

Reference yield: 97.0%

nitrobenzene (98-95-3,26969-40-4) + benzenesulfonyl chloride (98-09-9) → N-phenylbenzenesulfonamide (1678-25-7)

Guidance literature:

With iron; In water; for 1h;

upstream raw materials:

pyridine

N-chloro-N-phenylbenzenesulphonamide

sodium methylate

aniline

Downstream raw materials:

N-ethyl-N-phenylbenzenesulfonamide

2-Phenyl-3-amino-3-phenylbenzoisothiazoline 1,1-dioxide

3-(4-phenylsulfonylaminobenzoyl)acrylic acid

N-<3-(4-phenyl-1,2,3,6-tetrahydropyridyl)propyl>-N-phenylbenzenesulfonamide

Refernces

• 1、 Bahrami, Kiumars,Khodaei, Mohammad M.,Soheilizad, Mehdi. "Direct conversion of thiols and disulfides into sulfonamides". . p. 4843 - 4846. Retrieved 2010.
• 2、 Guerra, Walter D.,Lucena-Agell, Daniel,Hortigüela, Rafael,Rossi, Roberto A.,Fernando Díaz,Padrón, José M.,Barolo, Silvia M.. "Design, Synthesis, and in vitro Evaluation of Tubulin-Targeting Dibenzothiazines with Antiproliferative Activity as a Novel Heterocycle Building Block". . p. 3003 - 3016. Retrieved 2021/08/06.
• 3、 Talha, Aicha,Favreau, Cécile,Bourgoin, Maxence,Robert, Guillaume,Auberger, Patrick,EL Ammari, Lahcen,Saadi, Mohamed,Benhida, Rachid,Martin, Anthony R.,Bougrin, Khalid. "Ultrasound-assisted one-pot three-component synthesis of new isoxazolines bearing sulfonamides and their evaluation against hematological malignancies". . . Retrieved 2021/09/16.