4-Benzenesulfonylamino-benzenesulfonamide , CAS No.4461-11-4

CAS: 4461-11-4 Cat. No.: B668536 Peso molecular: 312.4
Disponible para pedir
Synonyms
4-Benzenesulfonylamino-benzenesulfonamide | aromatic sulfonamide compound 23 | BDBM16658 | DTXSID20356379 | 1-N-benzenebenzene-1,4-disulfonamide | AKOS001088105 | 4-benzenesulfonamidobenzene-1-sulfonamide | PD182061 | EN300-22795680 | Z45614013
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
B668536-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
B668536-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
4-Benzenesulfonylamino-benzenesulfonamide | aromatic sulfonamide compound 23 | BDBM16658 | DTXSID20356379 | 1-N-benzenebenzene-1, 4-disulfonamide | AKOS001088105 | 4-benzenesulfonamidobenzene-1-sulfonamide | PD182061 | EN300-22795680 | Z45614013
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP0.8
Nombres e identificadores
Sonrisas canónicasC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N
IUPAC Name4-(benzenesulfonamido)benzenesulfonamide
InChIKeyFOOYRJIJNYBGIF-UHFFFAOYSA-N
INCHI1S/C12H12N2O4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H,(H2,13,15,16)
Isómeros SMILES C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N
Peso molecular 312.4
Reaxy-Rn 3412047
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3412047&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassSulfanilides
Intermediate Tree Nodes Not available
Direct ParentSulfanilides
Alternative Parents Benzenesulfonamides  Benzenesulfonyl compounds  Organosulfonamides  Aminosulfonyl compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 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
DescripciónThis compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CA1 Tclin Carbonic anhydrase 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase 2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA12 Tclin Carbonic anhydrase 12 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA9 Tclin Carbonic anhydrase 9 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA12 Tclin Carbonic anhydrase XII (6231 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
CA4 Carbonic anhydrase IV (1713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular312.400 g/mol
XLogP30.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass312.024 Da
Monoisotopic Mass312.024 Da
Topological Polar Surface Area123.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity505.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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