N,4-Dimethyl-N-phenylbenzenesulfonamide , CAS No.599-62-2

CAS: 599-62-2 Cat. No.: N668159 Molecular Weight: 261.339 EC Number: 667-749-9 PubChem CID: 220023
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Synonyms
N,4-Dimethyl-N-phenylbenzenesulfonamide | 4,N-DIMETHYL-N-PHENYL-BENZENESULFONAMIDE | Benzenesulfonamide, N,4-dimethyl-N-phenyl- | N,4-dimethyl-N-phenylbenzene-1-sulfonamide | NSC671295 | Benzenesulfonamide,4-dimethyl-N-phenyl- | NSC2225 | MLS000570282 | D
Storage
Room temperature
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1mg
N668159-1mg
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$571.90

$999.90
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5mg
N668159-5mg
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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-Dimethyl-N-phenylbenzenesulfonamide | 4, N-DIMETHYL-N-PHENYL-BENZENESULFONAMIDE | Benzenesulfonamide, N, 4-dimethyl-N-phenyl- | N, 4-dimethyl-N-phenylbenzene-1-sulfonamide | NSC671295 | Benzenesulfonamide, 4-dimethyl-N-phenyl- | NSC2225 | MLS000570282 | D
Storage
Room temperature
Product Properties
ALogP3
Names and Identifiers
Canonical SmilesCC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2
IUPAC NameN,4-dimethyl-N-phenylbenzenesulfonamide
InChIKeyHEFFCQILGLLHQC-UHFFFAOYSA-N
INCHI1S/C14H15NO2S/c1-12-8-10-14(11-9-12)18(16,17)15(2)13-6-4-3-5-7-13/h3-11H,1-2H3
Isomeric SMILES CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2
PubChem CID 220023
Molecular Weight 261.339

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.

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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
SubclassToluenes
Intermediate Tree Nodes Tosyl compounds - P-toluenesulfonamides
Direct ParentN,N-disubstituted p-toluenesulfonamides
Alternative Parents Sulfanilides  Benzenesulfonamides  Benzenesulfonyl compounds  Organosulfonamides  Aminosulfonyl compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents N,n-disubstituted p-toluenesulfonamide - 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
DescriptionThis compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
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
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 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
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 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 Weight261.339 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass261.082 Da
Monoisotopic Mass261.082 Da
Topological Polar Surface Area45.800 Ų
Heavy Atom Count18
Formal Charge0
Complexity346.000
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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