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2-Bromo-N-phenethylbenzenesulfonamide - 98%, high purity , CAS No.849141-69-1

    Grade & Purity:
  • ≥98%
In stock
Item Number
B186940
Grouped product items
SKU Size
Availability
Price Qty
B186940-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$310.90
B186940-5g
5g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,117.90
B186940-100g
100g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,566.90

Basic Description

Synonyms 2-bromo-N-phenethylbenzenesulfonamide | 849141-69-1 | 2-bromo-N-(2-phenylethyl)benzenesulfonamide | N-Phenethyl 2-bromobenzenesulphonamide | Oprea1_797768 | CHEMBL3392403 | SCHEMBL15915771 | DTXSID40395785 | KUC100969N | ZIB14169 | MFCD07710141 | AKOS008009023 | SB82839 | NCGC0016
Specifications & Purity ≥98%
Storage Temp Room temperature
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Benzenesulfonamides
Intermediate Tree Nodes Not available
Direct Parent Benzenesulfonamides
Alternative Parents Benzenesulfonyl compounds  Bromobenzenes  Organosulfonamides  Aryl bromides  Aminosulfonyl compounds  Organonitrogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors Not available

Associated Targets(Human)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 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 2-bromo-N-(2-phenylethyl)benzenesulfonamide
INCHI InChI=1S/C14H14BrNO2S/c15-13-8-4-5-9-14(13)19(17,18)16-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey AESWHHJFQKKGMN-UHFFFAOYSA-N
Smiles C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CC=C2Br
Isomeric SMILES C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CC=C2Br
Molecular Weight 340.2
Reaxy-Rn 28676207
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28676207&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 340.240 g/mol
XLogP3 3.500
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 338.993 Da
Monoisotopic Mass 338.993 Da
Topological Polar Surface Area 54.600 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 360.000
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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