azetidine-3-sulfonamide;hydrochloride - ≥97% , CAS No.1909318-76-8

CAS: 1909318-76-8 Cat. No.: A631009 EC Number: 854-952-4 PubChem CID: 121553260

GRADE & PURITY ≥97%

Synonyms

azetidine-3-sulfonamide;hydrochloride | SY208968 | azetidine-3-sulfonamidehydrochloride | SCHEMBL20609915 | 3-Azetidinesulfonamide, hydrochloride (1:1) | MFCD29060305 | Z2286614878 | AT23268 | EN300-252334 | 1909318-76-8 | PS-18876 | azetidine-3-sulfonami

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

azetidine-3-sulfonamide;hydrochloride | SY208968 | azetidine-3-sulfonamidehydrochloride | SCHEMBL20609915 | 3-Azetidinesulfonamide, hydrochloride (1:1) | MFCD29060305 | Z2286614878 | AT23268 | EN300-252334 | 1909318-76-8 | PS-18876 | azetidine-3-sulfonami

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C(CN1)S(=O)(=O)N.Cl
• IUPAC Name: azetidine-3-sulfonamide;hydrochloride
• InChIKey: HLFSKAALRXWDTD-UHFFFAOYSA-N
• INCHI: 1S/C3H8N2O2S.ClH/c4-8(6,7)3-1-5-2-3;/h3,5H,1-2H2,(H2,4,6,7);1H
• Isomeric SMILES: C1C(CN1)S(=O)(=O)N.Cl
• Alternate CAS: 1909318-76-8
• PubChem CID: 121553260

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 Azetidines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Azetidine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organosulfur compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic 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

• Molecular Weight: 172.640 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.007 Da
• Monoisotopic Mass: 172.007 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 164.000
• 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: 2

XLogP3