N-Isopropil 4-(4-bromopirazol-1-il)bencenosulfonamida - ≥98% , CAS No.1187385-75-6

CAS: 1187385-75-6 Cat. No.: N179914 Peso molecular: 344.2 PubChem CID: 46739309

GRADE & PURITY ≥98%

Synonyms

N-ISOPROPYL 4-(4-BROMOPYRAZOL-1-YL)BENZENESULFONAMIDE | DTXSID80674920 | 4-(4-bromopyrazol-1-yl)-N-propan-2-ylbenzenesulfonamide | 4-(4-Bromo-1H-pyrazol-1-yl)-N-isopropylbenzenesulfonamide | AKOS015835050 | BS-23164 | 1187385-75-6 | 4-(4-Bromo-1H-pyrazol-

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

N-ISOPROPYL 4-(4-BROMOPYRAZOL-1-YL)BENZENESULFONAMIDE | DTXSID80674920 | 4-(4-bromopyrazol-1-yl)-N-propan-2-ylbenzenesulfonamide | 4-(4-Bromo-1H-pyrazol-1-yl)-N-isopropylbenzenesulfonamide | AKOS015835050 | BS-23164 | 1187385-75-6 | 4-(4-Bromo-1H-pyrazol-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)NS(=O)(=O)C1=CC=C(C=C1)N2C=C(C=N2)Br
• IUPAC Name: 4-(4-bromopyrazol-1-yl)-N-propan-2-ylbenzenesulfonamide
• InChIKey: XAAHZRFTZSESKU-UHFFFAOYSA-N
• INCHI: 1S/C12H14BrN3O2S/c1-9(2)15-19(17,18)12-5-3-11(4-6-12)16-8-10(13)7-14-16/h3-9,15H,1-2H3
• Isómeros SMILES: CC(C)NS(=O)(=O)C1=CC=C(C=C1)N2C=C(C=N2)Br
• PubChem CID: 46739309
• Peso molecular: 344.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Aryl bromides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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: 344.230 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 342.999 Da
• Monoisotopic Mass: 342.999 Da
• Topological Polar Surface Area: 72.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 388.000
• 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