N-Cyclohexyl-p-toluenesulfonamide - ≥99%(HPLC)(N) , CAS No.80-30-8

CAS: 80-30-8 Cat. No.: N158943 Molecular Weight: 253.36 Beilstein Registry Number: 12(3)61 EC Number: 201-268-3
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GRADE & PURITY ≥99%(HPLC)(N)
Synonyms
BRN 2698317 | HMS3039A07 | CAS-80-30-8 | NSC48143 | NSC-48143 | p-Toluenesulfonamide, N-cyclohexyl- (6CI,7CI,8CI) | UNII-0QPV1AE9EM | NCGC00091891-02 | NSC14856 | NSC-14856 | MLS002152910 | ? N-Cyclohexyl-4-methylbenzenesulfonamide | N-Cyclohexyltoluene-4
Storage
Room temperature
Shipped In
Normal
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5g
N158943-5g
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N158943-25g
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100g
N158943-100g
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$95.90

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500g
N158943-500g
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Why this grade

≥99%(HPLC)(N) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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
BRN 2698317 | HMS3039A07 | CAS-80-30-8 | NSC48143 | NSC-48143 | p-Toluenesulfonamide, N-cyclohexyl- (6CI, 7CI, 8CI) | UNII-0QPV1AE9EM | NCGC00091891-02 | NSC14856 | NSC-14856 | MLS002152910 | ? N-Cyclohexyl-4-methylbenzenesulfonamide | N-Cyclohexyltoluene-4
Specifications & Purity
≥99%(HPLC)(N)
Storage
Room temperature
Shipped In
Normal
Purity
≥99%(HPLC)(N)
Names and Identifiers
Pubchem Sid488180116
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180116
Canonical SmilesCC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2
IUPAC NameN-cyclohexyl-4-methylbenzenesulfonamide
InChIKeyDKYVVNLWACXMDW-UHFFFAOYSA-N
INCHI1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3
Isomeric SMILES CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2
RTECS XT5617000
Molecular Weight 253.36
Beilstein 12(3)61
Reaxy-Rn 2698317
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2698317&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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Tosyl compounds
Direct ParentP-toluenesulfonamides
Alternative Parents Benzenesulfonamides  Benzenesulfonyl compounds  Organosulfonamides  Aminosulfonyl compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents P-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
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:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeDateItem
L2523425Certificate of AnalysisJul 10, 2024 N158943
L2523426Certificate of AnalysisJul 10, 2024 N158943
L2523427Certificate of AnalysisJul 10, 2024 N158943
B2316458Certificate of AnalysisOct 13, 2022 N158943
B2316551Certificate of AnalysisOct 13, 2022 N158943
B2316565Certificate of AnalysisOct 13, 2022 N158943
B2316566Certificate of AnalysisOct 13, 2022 N158943
Chemical and Physical Properties
SolubilitySoluble in Methanol
Boil Point(°C)350 °C
Melt Point(°C)87 °C
Molecular Weight253.360 g/mol
XLogP33.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass253.114 Da
Monoisotopic Mass253.114 Da
Topological Polar Surface Area54.600 Ų
Heavy Atom Count17
Formal Charge0
Complexity320.000
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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