4-(Methylsulfonamido)benzaldehyde - ≥95% , CAS No.83922-54-7

CAS: 83922-54-7 Cat. No.: M186841 Molecular Weight: 199.2 EC Number: 641-566-4

GRADE & PURITY ≥95%

Synonyms

AKOS009332094 | Methanesulfonamide, N-(4-formylphenyl)- | MFCD11052340 | DANYPOSRRWSVPY-UHFFFAOYSA-N | 4-(METHYLSULFONAMIDO)BENZALDEHYDE | EN300-66954 | V28J53B18G | N-(4-Formylphenyl)methanesulphonamide | 4-(Methylsulfonylamino)benzaldehyde | N-(4-Formyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AKOS009332094 | Methanesulfonamide, N-(4-formylphenyl)- | MFCD11052340 | DANYPOSRRWSVPY-UHFFFAOYSA-N | 4-(METHYLSULFONAMIDO)BENZALDEHYDE | EN300-66954 | V28J53B18G | N-(4-Formylphenyl)methanesulphonamide | 4-(Methylsulfonylamino)benzaldehyde | N-(4-Formyl

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

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: 504768779
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768779
• Canonical Smiles: CS(=O)(=O)NC1=CC=C(C=C1)C=O
• IUPAC Name: N-(4-formylphenyl)methanesulfonamide
• InChIKey: DANYPOSRRWSVPY-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO3S/c1-13(11,12)9-8-4-2-7(6-10)3-5-8/h2-6,9H,1H3
• Isomeric SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C=O
• Molecular Weight: 199.2
• Reaxy-Rn: 6504063
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6504063&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzoyl derivatives Benzaldehydes Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfanilide - Benzaldehyde - Benzoyl - Aryl-aldehyde - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Aldehyde - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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: 199.230 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 199.03 Da
• Monoisotopic Mass: 199.03 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 260.000
• 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