7-(benzenesulfonyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine - ≥97% , CAS No.1289190-97-1

CAS: 1289190-97-1 Cat. No.: B628112 Peso molecular: 338.18 PubChem CID: 67086219

GRADE & PURITY ≥97%

Synonyms

1289190-97-1 | 5-Bromo-7-(phenylsulfonyl)-7H-Pyrrolo[2,3-d]pyrimidine | 7-(Benzenesulfonyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine | 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine | SCHEMBL1585468 | MFCD27943041 | SB14060 | AS-52018 | P14152

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1289190-97-1 | 5-Bromo-7-(phenylsulfonyl)-7H-Pyrrolo[2, 3-d]pyrimidine | 7-(Benzenesulfonyl)-5-bromo-7H-pyrrolo[2, 3-d]pyrimidine | 7-(benzenesulfonyl)-5-bromopyrrolo[2, 3-d]pyrimidine | SCHEMBL1585468 | MFCD27943041 | SB14060 | AS-52018 | P14152

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CN=CN=C32)Br
• IUPAC Name: 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine
• InChIKey: DUHOLBFHYZQWEO-UHFFFAOYSA-N
• INCHI: 1S/C12H8BrN3O2S/c13-11-7-16(12-10(11)6-14-8-15-12)19(17,18)9-4-2-1-3-5-9/h1-8H
• Isómeros SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CN=CN=C32)Br
• PubChem CID: 67086219
• Peso molecular: 338.18

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Pyrrolo[2,3-d]pyrimidines Benzenesulfonyl compounds Substituted pyrroles Pyrimidines and pyrimidine derivatives Aryl bromides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Pyrrolo[2,3-d]pyrimidine - Benzenesulfonyl group - Pyrrolopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 338.180 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 336.952 Da
• Monoisotopic Mass: 336.952 Da
• Topological Polar Surface Area: 73.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 419.000
• 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