4-(4-Pyridin-2-yl-piperazine-1-sulfonyl)-benzo[1,2,5]thiadiazole , CAS No.384373-19-7

CAS: 384373-19-7 Cat. No.: P958277 Peso molecular: 361.400

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC=CC4=NSN=C43
• IUPAC Name: 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
• InChIKey: LSRBIQSSMFDVNO-UHFFFAOYSA-N
• INCHI: 1S/C15H15N5O2S2/c21-24(22,13-5-3-4-12-15(13)18-23-17-12)20-10-8-19(9-11-20)14-6-1-2-7-16-14/h1-7H,8-11H2
• Peso molecular: 361.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Benzothiadiazoles Dialkylarylamines Aminopyridines and derivatives Organosulfonamides Imidolactams Benzenoids Thiadiazoles Sulfonyls Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - 2,1,3-benzothiadiazole - Dialkylarylamine - Aminopyridine - Pyridine - Organosulfonic acid amide - Benzenoid - Imidolactam - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiadiazole - Heteroaromatic compound - Azacycle - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a 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: 361.400 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 361.067 Da
• Monoisotopic Mass: 361.067 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 532.000
• 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