N,N-Dimethylnicotinamide-2-sulfonamide - ≥95% , CAS No.112006-75-4

CAS: 112006-75-4 Cat. No.: N179442 Molecular Weight: 229.3 EC Number: 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

Store at 2-8°C

Shipped In

Wet ice

Specifications

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 |

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504767614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767614
• Canonical Smiles: 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)
• Isomeric SMILES: CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N
• Molecular Weight: 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
    • Class Pyridines and derivatives
      • Subclass Pyridinesulfonamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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