1-(Phenylsulfonyl)pyrrolidine - ≥98% , CAS No.5033-22-7

CAS: 5033-22-7 Cat. No.: P184817 Molecular Weight: 211.28 PubChem CID: 246138

GRADE & PURITY ≥98%

Synonyms

1-(phenylsulfonyl)pyrrolidine|5033-22-7|1-(benzenesulfonyl)pyrrolidine|1-Benzenesulfonyl-pyrrolidine|(Pyrrolidinyl)(phenyl)sulfone|NSC58725|N-benzenesulfonyl pyrrolidine|(Pyrrolidinyl)(phenyl)sulphone|1-(Phenylsulphonyl)pyrrolidine|CHEMBL445438|SCHEMBL198

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1-(phenylsulfonyl)pyrrolidine | 5033-22-7 | 1-(benzenesulfonyl)pyrrolidine | 1-Benzenesulfonyl-pyrrolidine | (Pyrrolidinyl)(phenyl)sulfone | NSC58725 | N-benzenesulfonyl pyrrolidine | (Pyrrolidinyl)(phenyl)sulphone | 1-(Phenylsulphonyl)pyrrolidine | CHEMBL445438 | SCHEMBL198

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: C1CCN(C1)S(=O)(=O)C2=CC=CC=C2
• IUPAC Name: 1-(benzenesulfonyl)pyrrolidine
• InChIKey: DSWRVRWIXRRDLN-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO2S/c12-14(13,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
• Isomeric SMILES: C1CCN(C1)S(=O)(=O)C2=CC=CC=C2
• PubChem CID: 246138
• Molecular Weight: 211.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Organosulfonamides Sulfonyls Pyrrolidines Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Associated Targets(non-human)

Parl Presenilins-associated rhomboid-like protein, mitochondrial (3 Activities)

Discover Target: Parl

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 211.280 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 211.067 Da
• Monoisotopic Mass: 211.067 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 269.000
• 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