N,N-Dimetilnicotinamida-2-sulfonamida - ≥95% , CAS No.112006-75-4

CAS: 112006-75-4 Cat. No.: N179442 Peso molecular: 229.3 Número EC: 413-440-7

GRADE & PURITY ≥95%

Synonyms

2-Aminosulfonyl-N,N-dimethylnicotamide | D70962 | 3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl- | AC-25118 | N,N-Dimethyl-2-sulphamoylnicotinamide | PS-5496 | ASDM | EN300-39428 | A802467 | N,N-Dimethyl-2-sulfamoylnicotinamide | UNII-WJ075RF748 |

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

2-Aminosulfonyl-N, N-dimethylnicotamide | D70962 | 3-Pyridinecarboxamide, 2-(aminosulfonyl)-N, N-dimethyl- | AC-25118 | N, N-Dimethyl-2-sulphamoylnicotinamide | PS-5496 | ASDM | EN300-39428 | A802467 | N, N-Dimethyl-2-sulfamoylnicotinamide | UNII-WJ075RF748 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504767614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767614
• Sonrisas canónicas: CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N
• IUPAC Name: N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide
• InChIKey: WYFKZPLSYVJLRB-UHFFFAOYSA-N
• INCHI: 1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)
• Isómeros SMILES: CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N
• Peso molecular: 229.3
• Reaxy-Rn: 9193761
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9193761&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinesulfonamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinesulfonamides
• Alternative Parents: Nicotinamides Organosulfonamides Tertiary carboxylic acid amides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine-2-sulfonamide - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups.
• 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: 229.260 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 229.052 Da
• Monoisotopic Mass: 229.052 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 334.000
• 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