N-(4-(Aminosulphonyl)phenyl)-3-oxobutyramide , CAS No.4542-32-9

CAS: 4542-32-9 Cat. No.: N667977 Molecular Weight: 256.279 PubChem CID: 78297
AVAILABLE TO ORDER
Synonyms
ACETOACET-P-SULFANILAMIDE | N-(4-(Aminosulphonyl)phenyl)-3-oxobutyramide | EINECS 224-892-8 | 3-oxo-n-(4-sulfamoylphenyl)butanamide | DTXSID10196509 | BDBM50527085 | AKOS005773766 | 3-Oxo-N-(4-sulfamoyl-phenyl)-butyramide | FT-0621792
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
N667977-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
N667977-5mg
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%)
Enter a quantity for the sizes you want to add.
🧪

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

Synonyms
ACETOACET-P-SULFANILAMIDE | N-(4-(Aminosulphonyl)phenyl)-3-oxobutyramide | EINECS 224-892-8 | 3-oxo-n-(4-sulfamoylphenyl)butanamide | DTXSID10196509 | BDBM50527085 | AKOS005773766 | 3-Oxo-N-(4-sulfamoyl-phenyl)-butyramide | FT-0621792
Storage
Room temperature
Product Properties
ALogP0.4
Names and Identifiers
Canonical SmilesCC(=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N
IUPAC Name3-oxo-N-(4-sulfamoylphenyl)butanamide
InChIKeyFDZMNCCKUUOJEX-UHFFFAOYSA-N
INCHI1S/C10H12N2O4S/c1-7(13)6-10(14)12-8-2-4-9(5-3-8)17(11,15)16/h2-5H,6H2,1H3,(H,12,14)(H2,11,15,16)
Isomeric SMILES CC(=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N
PubChem CID 78297
Molecular Weight 256.279

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
SubclassBenzenesulfonamides
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonamides
Alternative Parents Benzenesulfonyl compounds  Anilides  N-arylamides  Organosulfonamides  Fatty amides  1,3-dicarbonyl compounds  Aminosulfonyl compounds  Secondary carboxylic acid amides  Ketones  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzenesulfonamide - Anilide - Benzenesulfonyl group - N-arylamide - Fatty amide - Organosulfonic acid amide - 1,3-dicarbonyl compound - Fatty acyl - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - 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)
CA4 Tclin Carbonic anhydrase 4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA7 Tclin Carbonic anhydrase 7 (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
Associated Targets(non-human)
Ca7 Carbonic anhydrase VII (3 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 Weight256.279 g/mol
XLogP30.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass256.052 Da
Monoisotopic Mass256.052 Da
Topological Polar Surface Area115.000 Ų
Heavy Atom Count17
Formal Charge0
Complexity391.000
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
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.