4-Methanesulfonylamino-benzenesulfonamide , CAS No.4426-90-8

CAS: 4426-90-8 Cat. No.: M668740 Molecular Weight: 250.3 PubChem CID: 2837872
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Synonyms
4-Methanesulfonylamino-benzenesulfonamide | 4-[(methylsulfonyl)amino]benzenesulfonamide | 4-(Methylsulfonamido)benzenesulfonamide | 4-(Methylsulfonylamino)benzenesulfonamide | UH3KA8XT39 | Oprea1_082411 | DTXSID60385527 | BDBM50174035 | STK416772 | AKOS00
Storage
Room temperature
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Size
Status
Price
Qty
1mg
M668740-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
M668740-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (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.

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
4-Methanesulfonylamino-benzenesulfonamide | 4-[(methylsulfonyl)amino]benzenesulfonamide | 4-(Methylsulfonamido)benzenesulfonamide | 4-(Methylsulfonylamino)benzenesulfonamide | UH3KA8XT39 | Oprea1_082411 | DTXSID60385527 | BDBM50174035 | STK416772 | AKOS00
Storage
Room temperature
Product Properties
ALogP-0.7
Names and Identifiers
Canonical SmilesCS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)N
IUPAC Name4-(methanesulfonamido)benzenesulfonamide
InChIKeyKPLRLDFXFOARQY-UHFFFAOYSA-N
INCHI1S/C7H10N2O4S2/c1-14(10,11)9-6-2-4-7(5-3-6)15(8,12)13/h2-5,9H,1H3,(H2,8,12,13)
Isomeric SMILES CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)N
PubChem CID 2837872
Molecular Weight 250.3

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
ClassBenzene and substituted derivatives
SubclassSulfanilides
Intermediate Tree Nodes Not available
Direct ParentSulfanilides
Alternative Parents Benzenesulfonamides  Benzenesulfonyl compounds  Organosulfonamides  Organic sulfonamides  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 amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CA1 Tclin Carbonic anhydrase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase 2 (1 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
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight250.300 g/mol
XLogP3-0.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass250.008 Da
Monoisotopic Mass250.008 Da
Topological Polar Surface Area123.000 Ų
Heavy Atom Count15
Formal Charge0
Complexity395.000
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
Solution Calculators
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