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N-(4-Aminophenyl)-4-methylbenzenesulfonamide - 99%, high purity , CAS No.6380-08-1

COA

Grade & Purity:

≥99%

Cas Number: 6380-08-1
Molecular Weight: 262.33
PubChem CID: 458884

In stock

Item Number

N433186

Grouped product items
SKU	Size	Availability	Price	Qty
N433186-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90

Basic Description

Synonyms	4-(p-toluenesulphonamido)aniline \| FT-0636127 \| MFCD00134366 \| EN300-11875 \| XKDFMOOUKPSLEM-UHFFFAOYSA-N \| SR-01000251895-1 \| D73987 \| N-(4-Aminophenyl)-4-methylbenzenesulfonamide \| N-(4-aminophenyl)-4-methyl-benzenesulfonamide \| N-(4-Aminophenyl)-4-methy
Specifications & Purity	≥99%
Product Description	General Description N -(4-Aminophenyl)-4-methylbenzenesulfonamide is a sulfonamide derivative. It has been reported to crystallize in an asymmetric unit containing two independent molecules, having V-shaped conformations. Its crystals are orthorhombic having space group P 2 1 2 1 2 1 . Application N -(4-Aminophenyl)-4-methylbenzenesulfonamide may be used in the preparation of following compounds: 4-methyl- N -[4-[3-(2-naphthyl)imidazo[1,2- a ]pyrazine-8-yl]aminophenyl]benzenesulfonamide 4-methyl- N -[4-[2-(2-naphthyl)imidazo[1,2- a ]pyrazine-8-yl]aminophenyl]benzenesulfonamide 2- and 3-substituted 8-amino imidazo[1,2- a ]pyrazines

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes
      - Level5 Tosyl compounds
        Level6 P-toluenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Tosyl compounds
Direct Parent	P-toluenesulfonamides
Alternative Parents	Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines Organosulfonamides Aminosulfonyl compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-toluenesulfonamide - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Aniline or substituted anilines - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group.
External Descriptors	Not available
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	N-(4-aminophenyl)-4-methylbenzenesulfonamide
INCHI	InChI=1S/C13H14N2O2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,14H2,1H3
InChIKey	XKDFMOOUKPSLEM-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N
Molecular Weight	262.33
Reaxy-Rn	2811491
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2811491&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	183-185 °C
Molecular Weight	262.330 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	262.078 Da
Monoisotopic Mass	262.078 Da
Topological Polar Surface Area	80.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	348.000
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

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