N-t-Butyl 4-aminophenylsulfonamide - ≥98% , CAS No.209917-48-6

CAS: 209917-48-6 Cat. No.: N182718 Molecular Weight: 228.3 EC Number: 687-656-7

GRADE & PURITY ≥98%

Synonyms

EN300-252676 | SCHEMBL2408403 | AM20120642 | 4-amino-N-tert-butylbenzenesulfonamide | 4-amino-N-tert-butyl-benzenesulfonamide | N-t-Butyl 4-aminophenylsulfonamide | STK123015 | AS-31714 | FT-0700697 | N-tert-Butyl 4-Aminophenylsulfonamide | XEJAJZSTMLRDKH

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

application：

N-tert-Butyl-4-aminobenzenesulfonamide is an synthetic intermediate used in the synthesis of various pharmaceutical goods such as CK2 and PIM kinase inhibitors.

Specifications

Synonyms

EN300-252676 | SCHEMBL2408403 | AM20120642 | 4-amino-N-tert-butylbenzenesulfonamide | 4-amino-N-tert-butyl-benzenesulfonamide | N-t-Butyl 4-aminophenylsulfonamide | STK123015 | AS-31714 | FT-0700697 | N-tert-Butyl 4-Aminophenylsulfonamide | XEJAJZSTMLRDKH

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760249
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760249
• Canonical Smiles: CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)N
• IUPAC Name: 4-amino-N-tert-butylbenzenesulfonamide
• InChIKey: XEJAJZSTMLRDKH-UHFFFAOYSA-N
• INCHI: 1S/C10H16N2O2S/c1-10(2,3)12-15(13,14)9-6-4-8(11)5-7-9/h4-7,12H,11H2,1-3H3
• Isomeric SMILES: CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)N
• Molecular Weight: 228.3
• Reaxy-Rn: 6292422
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6292422&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aniline and substituted anilines Organosulfonamides Aminosulfonyl compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene 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

Chemical and Physical Properties

• Melt Point(°C): 128-130℃
• Molecular Weight: 228.310 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 228.093 Da
• Monoisotopic Mass: 228.093 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 292.000
• 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