N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide , CAS No.N668667

CAS: N668667 Cat. No.: N668667 Molecular Weight: 397.5
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Synonyms
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide | CBMicro_005385 | Cambridge id 6215639 | Oprea1_118721 | Oprea1_398675 | MLS000026948 | aromatic sulfonamide compound 28 | BDBM16663 | HMS2385B11 | N-{4-[2-(4-Sulfamoyl-phenyl)-ethylsulfamoyl]-
Storage
Room temperature
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Size
Status
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Qty
1mg
N668667-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
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5mg
N668667-5mg
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$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.

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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
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide | CBMicro_005385 | Cambridge id 6215639 | Oprea1_118721 | Oprea1_398675 | MLS000026948 | aromatic sulfonamide compound 28 | BDBM16663 | HMS2385B11 | N-{4-[2-(4-Sulfamoyl-phenyl)-ethylsulfamoyl]-
Storage
Room temperature
Product Properties
ALogP0.6
Names and Identifiers
Canonical SmilesCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N
IUPAC NameN-[4-[2-(4-sulfamoylphenyl)ethylsulfamoyl]phenyl]acetamide
InChIKeyTXQNFGSNONKCOR-UHFFFAOYSA-N
INCHI1S/C16H19N3O5S2/c1-12(20)19-14-4-8-16(9-5-14)26(23,24)18-11-10-13-2-6-15(7-3-13)25(17,21)22/h2-9,18H,10-11H2,1H3,(H,19,20)(H2,17,21,22)
Isomeric SMILES CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N
Molecular Weight 397.5
Reaxy-Rn 8349886
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8349886&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzenesulfonamides
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonamides
Alternative Parents Acetanilides  N-acetylarylamines  Benzenesulfonyl compounds  Organosulfonamides  Aminosulfonyl compounds  Acetamides  Secondary carboxylic acid amides  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Acetanilide - Benzenesulfonamide - N-acetylarylamine - Benzenesulfonyl group - Anilide - N-arylamide - Organosulfonic acid amide - Acetamide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis 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
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)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
CA4 Carbonic anhydrase IV (1713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 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 Weight397.500 g/mol
XLogP30.600
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass397.077 Da
Monoisotopic Mass397.077 Da
Topological Polar Surface Area152.000 Ų
Heavy Atom Count26
Formal Charge0
Complexity666.000
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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