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N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide , CAS No.N668524

COA COA
  • Molecular Weight:  275.4
  • PubChem CID: 800890
In stock
Item Number
N668524
Grouped product items
SKU Size
Availability
 Price Qty
N668524-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
N668524-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide | MLS000530990 | SMR000135968 | cid_800890 | BDBM46877 | CHEBI:115645 | HMS2399E10 | N,4-dimethyl-N-(p-tolyl)benzenesulfonamide | AE-641/05079023 | SR-01000246837 | SR-01000246837-1 | Q27197988

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Toluenes
Intermediate Tree Nodes Tosyl compounds - P-toluenesulfonamides
Direct Parent N,N-disubstituted p-toluenesulfonamides
Alternative Parents Sulfanilides  Benzenesulfonamides  Benzenesulfonyl compounds  Organosulfonamides  Aminosulfonyl compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.
External Descriptors Not available

Product Properties

ALogP 3.4

Associated Targets(Human)

MCOLN3 Tchem Mucolipin-3 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LNCaP (8286 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCOLN3 Tchem MCOLN3 protein (319 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
nompc Ion channel NompC (277 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NS1 Nonstructural protein 1 (33327 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

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-dimethyl-N-(4-methylphenyl)benzenesulfonamide
INCHI InChI=1S/C15H17NO2S/c1-12-4-8-14(9-5-12)16(3)19(17,18)15-10-6-13(2)7-11-15/h4-11H,1-3H3
InChIKey AFMKTQHRDBNAKW-UHFFFAOYSA-N
Smiles CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C
Isomeric SMILES CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C
Molecular Weight 275.4
Reaxy-Rn 2135979
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2135979&ln=

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

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

Chemical and Physical Properties

Molecular Weight 275.400 g/mol
XLogP3 3.400
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 275.098 Da
Monoisotopic Mass 275.098 Da
Topological Polar Surface Area 45.800 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 371.000
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

Solution Calculators

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