3,5-Dibromosulfanilamide - ≥97% , CAS No.39150-45-3

CAS: 39150-45-3 Cat. No.: D154525 Summenformel: C₆H₆Br₂N₂O₂S Molekulargewicht: 329.99 EG-Nummer: 254-321-8

GRADE & PURITY ≥97%

Synonyms

Benzenesulfonamide, 4-amino-3,5-dibromo- | BDBM11611 | 4-Amino-3,5-dibromobenzenesulphonamide | SCHEMBL11136228 | AMY25124 | DTXSID20192395 | FT-0614522 | 2,6-Dibromosulfanilamide | UNII-G88Z5C5E4Z | EINECS 254-321-8 | 4-amino-3,5-dibromobenzene-1-sulfona

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Benzenesulfonamide, 4-amino-3,5-dibromo- | BDBM11611 | 4-Amino-3,5-dibromobenzenesulphonamide | SCHEMBL11136228 | AMY25124 | DTXSID20192395 | FT-0614522 | 2,6-Dibromosulfanilamide | UNII-G88Z5C5E4Z | EINECS 254-321-8 | 4-amino-3,5-dibromobenzene-1-sulfona

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488194281

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194281

Kanonisches Lächeln

C1=C(C=C(C(=C1Br)N)Br)S(=O)(=O)N

IUPAC Name

4-amino-3,5-dibromobenzenesulfonamide

InChIKey

DLXJPWSYRLLYSV-UHFFFAOYSA-N

INCHI

1S/C6H6Br2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)

Isomere SMILES

C1=C(C=C(C(=C1Br)N)Br)S(=O)(=O)N

Molekulargewicht

329.99

Reaxy-Rn

2694826

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2694826&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds 2-bromoanilines Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Primary amines Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - 2-bromoaniline - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

CA2 Tclin Carbonic anhydrase 2 (4 Activities)

Discover Target: CA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA9 Tclin Carbonic anhydrase 9 (1 Activities)

Discover Target: CA9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA3 Tclin Carbonic anhydrase III (753 Activities)

Discover Target: CA3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Carbonic anhydrase (69 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Schmelzpunkt (°C): 242 °C
• Molekulargewicht: 330.000 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 329.85 Da
• Monoisotopic Mass: 327.852 Da
• Topological Polar Surface Area: 94.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 265.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 39150-45-3, the molecular formula is C6H6Br2N2O2S, and the molecular weight is 329.99 g/mol. InChIKey DLXJPWSYRLLYSV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.