Cyclohexanesulfonamide - ≥97% , CAS No.2438-38-2

CAS: 2438-38-2 Cat. No.: C192266 Formula: C₆H₁₃NO₂S Molecular Weight: 163.24 EC Number: 842-268-9

GRADE & PURITY ≥97%

Synonyms

methyl 4-methyl-3-[(N-propylalanyl)amino]thiophene-2-carboxylate|Cyclohexanesulfonamide|Zyklohexansulfamid|6-Methoxynaphthalene-2-acetic acid|cyclohexanesulfonic acid amide|Phosphorothioic acid, O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) ester|Cyclohexyl Sulfonamide|cyclohexylsulfonamide|Cyclohexanesulfonamide(7CI,8CI,9CI)|1-(Di-N-propoxyphosphinothioylthiomethylcarbonyl-2-methylpiperidine)

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

methyl 4-methyl-3-[(N-propylalanyl)amino]thiophene-2-carboxylate | Cyclohexanesulfonamide | Zyklohexansulfamid | 6-Methoxynaphthalene-2-acetic acid | cyclohexanesulfonic acid amide | Phosphorothioic acid, O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) ester | Cyclohexyl Sulfonamide | cyclohexylsulfonamide | Cyclohexanesulfonamide(7CI,8CI, Show more

Specifications & Purity

≥97%

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Product Line

C192266-50mg

Names and Identifiers

Canonical Smiles

C1CCC(CC1)S(=O)(=O)N

IUPAC Name

cyclohexanesulfonamide

InChIKey

AAYHAFZXFMIUSN-UHFFFAOYSA-N

INCHI

1S/C6H13NO2S/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8,9)

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)N

Molecular Weight

163.24

Reaxy-Rn

2716566

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716566&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonamides
• Alternative Parents: Organic sulfonamides Aminosulfonyl compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonamides. These are compounds containing the sulfonamide functional group, an amide of sulfonic acid with the general structure R1S(=O)2N(R2)R3 (R1=alkyl, aryl; R2,R3=H, alkyl, aryl).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 94-95 °C
• Molecular Weight: 163.240 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.067 Da
• Monoisotopic Mass: 163.067 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 186.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1