Cyclohexanesulfonamide

Base Information

• Chemical Name: Cyclohexanesulfonamide
• CAS No.: 2438-38-2
• Molecular Formula: C6H13 N O2 S
• Molecular Weight: 163.241
• Hs Code.: 2935009090
• European Community (EC) Number: 842-268-9
• NSC Number: 516377,516369
• UNII: WD8D32G5P9
• DSSTox Substance ID: DTXSID80179127
• Nikkaji Number: J48.537C
• Wikidata: Q72459719
• Mol file: 2438-38-2.mol

Synonyms:Cyclohexanesulfonamide;2438-38-2;Zyklohexansulfamid;Zyklohexansulfamid [German];NSC 516369;NSC 516377;BRN 2716566;WD8D32G5P9;NSC-516369;NSC-516377;WLN: L6TJ ASZW;3-11-00-00027 (Beilstein Handbook Reference);cyclohexylsulfonamide;Cyclohexyl Sulfonamide;UNII-WD8D32G5P9;cyclohexanesulfonic acid amide;SCHEMBL393197;DTXSID80179127;CAA43838;MFCD01734812;NSC516369;NSC516377;AKOS010112936;Cyclohexanesulfonamide(7CI,8CI,9CI);BS-13293;LS-57003;CS-0208741;FT-0716951;EN300-59803;C74252;Z734461568

Chemical Property of Cyclohexanesulfonamide

Chemical Property:

• Vapor Pressure: 0.00116mmHg at 25°C
• Melting Point: 94-95℃
• Boiling Point: 299.8°Cat760mmHg
• PKA: 10.58±0.20(Predicted)
• Flash Point: 135.1°C
• PSA: 68.54000
• Density: 1.22g/cm³
• LogP: 2.38870
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.06669983
• Heavy Atom Count: 10
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

cyclohexanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)S(=O)(=O)N

Technology Process of Cyclohexanesulfonamide

There total 8 articles about Cyclohexanesulfonamide 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: 97.5%

isobutylidene-cyclohexylamine (88304-20-5) → cyclohexanesulfonamide (2438-38-2)

Guidance literature:

With sulfur trioxide; In 1,1-dichloroethane; water;

Reference yield: 91.0%

cyclohexanesulfonyl chloride (4837-38-1) → cyclohexanesulfonamide (2438-38-2)

Guidance literature:

With hydrogenchloride; ammonium hydroxide; In water; at 20 ℃; for 1.66667h; pH=7;

DOI:10.1016/j.bmc.2014.03.015

Reference yield: 91.0%

ammonia (7664-41-7) + cyclohexanesulfonyl chloride (4837-38-1) → cyclohexanesulfonamide (2438-38-2)

Guidance literature:

In diethyl ether; at 0 - 20 ℃;

upstream raw materials:

cyclohexanesulfonyl chloride

1,3-Dicyclohexylurea

isobutylidene-cyclohexylamine

ammonia

Downstream raw materials:

N-butyl-N'-cyclohexanesulfonyl-urea

N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-cyclohexanesulfonamide

N-(3-((3,5-dimethylphenyl)amino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)cyclohexanesulfonamide

C₃₄H₄₈N₄O₅S

Refernces

• 1、 -. "NEW BRAF INHIBITORS AS PARADOX BREAKERS". Page/Page column 42-43. . Retrieved 2021/06/22.
• 2、 Tota, Arianna,St John-Campbell, Sahra,Briggs, Edward L.,Estévez, Gala Ogalla,Afonso, Michelle,Degennaro, Leonardo,Luisi, Renzo,Bull, James A.. "Highly Chemoselective NH- and O-Transfer to Thiols Using Hypervalent Iodine Reagents: Synthesis of Sulfonimidates and Sulfonamides". supporting information. p. 2599 - 2602. Retrieved 2018/05/22.