N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide , CAS No.N668760

CAS: N668760 Cat. No.: N668760 Molecular Weight: 285.79
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Synonyms
N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide | Oprea1_125741 | Oprea1_156332 | MLS001207498 | N-bicyclo[2.2.1]hept-2-yl-4-chlorobenzenesulfonamide | N-Bicyclo[2.2.1]hept-2-yl-4-chloro-benzenesulfonamide | CHEBI:116412 | HMS1730A03 | HMS2832C22
Storage
Room temperature
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Size
Status
Price
Qty
1mg
N668760-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
N668760-5mg
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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-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide | Oprea1_125741 | Oprea1_156332 | MLS001207498 | N-bicyclo[2.2.1]hept-2-yl-4-chlorobenzenesulfonamide | N-Bicyclo[2.2.1]hept-2-yl-4-chloro-benzenesulfonamide | CHEBI:116412 | HMS1730A03 | HMS2832C22
Storage
Room temperature
Product Properties
ALogP3.3
Names and Identifiers
Canonical SmilesC1CC2CC1CC2NS(=O)(=O)C3=CC=C(C=C3)Cl
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
InChIKeyYBPCQWFNLIMSAP-UHFFFAOYSA-N
INCHI1S/C13H16ClNO2S/c14-11-3-5-12(6-4-11)18(16,17)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2
Isomeric SMILES C1CC2CC1CC2NS(=O)(=O)C3=CC=C(C=C3)Cl
Molecular Weight 285.79
Reaxy-Rn 52932815
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=52932815&ln=

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.

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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
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassMonoterpenoids
Intermediate Tree Nodes Not available
Direct ParentBicyclic monoterpenoids
Alternative Parents Benzenesulfonamides  Aromatic monoterpenoids  Benzenesulfonyl compounds  Chlorobenzenes  Organosulfonamides  Aryl chlorides  Aminosulfonyl compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Aromatic monoterpenoid - Benzenesulfonamide - Bicyclic monoterpenoid - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HSP90AA1 Tchem Heat shock protein HSP 90-alpha (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
FTL Ferritin light chain (43324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS1 Nonstructural protein 1 (33327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSP90 (947 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 Weight285.790 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass285.059 Da
Monoisotopic Mass285.059 Da
Topological Polar Surface Area54.600 Ų
Heavy Atom Count18
Formal Charge0
Complexity398.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
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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