1-(benzenesulfonyl)-6-chloro-2-methyl-pyrrolo[2,3-b]pyridine - ≥97% , CAS No.1227266-96-7

CAS: 1227266-96-7 Cat. No.: C627532 Molecular Weight: 306.77 PubChem CID: 131845943

GRADE & PURITY ≥97%

Synonyms

1H-Pyrrolo[2,3-b]pyridine, 6-chloro-2-methyl-1-(phenylsulfonyl)- | 1-(benzenesulfonyl)-6-chloro-2-methyl-pyrrolo[2,3-b]pyridine | 1-(benzenesulfonyl)-6-chloro-2-methylpyrrolo[2,3-b]pyridine | 6-Chloro-2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1H-Pyrrolo[2, 3-b]pyridine, 6-chloro-2-methyl-1-(phenylsulfonyl)- | 1-(benzenesulfonyl)-6-chloro-2-methyl-pyrrolo[2, 3-b]pyridine | 1-(benzenesulfonyl)-6-chloro-2-methylpyrrolo[2, 3-b]pyridine | 6-Chloro-2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2, 3-b]pyridine

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)N=C(C=C2)Cl
• IUPAC Name: 1-(benzenesulfonyl)-6-chloro-2-methylpyrrolo[2,3-b]pyridine
• InChIKey: KFDHRTJCDCLMGU-UHFFFAOYSA-N
• INCHI: 1S/C14H11ClN2O2S/c1-10-9-11-7-8-13(15)16-14(11)17(10)20(18,19)12-5-3-2-4-6-12/h2-9H,1H3
• Isomeric SMILES: CC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)N=C(C=C2)Cl
• Alternate CAS: 1227266-96-7
• PubChem CID: 131845943
• Molecular Weight: 306.77

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: 2-halopyridines Substituted pyrroles Sulfonyls Pyrrolines Organosulfonic acids and derivatives Heteroaromatic compounds Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Azacyclic compounds Amidines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - 2-halopyridine - Substituted pyrrole - Pyridine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrroline - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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