4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-N-propylbenzenesulfonamide - ≥90% , CAS No.338775-52-3

CAS: 338775-52-3 Cat. No.: C1300939 Molecular Weight: 394.8 PubChem CID: 4353061
AVAILABLE TO ORDER
GRADE & PURITY ≥90%
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
C1300939-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$277.90
5mg
C1300939-5mg
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$292.90
10mg
C1300939-10mg
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$321.90
500mg
C1300939-500mg
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$1,064.90
1g
C1300939-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,914.90
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Why this grade

≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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

Specifications & Purity
≥90%
Storage
Room temperature
Shipped In
Normal
Purity
≥90%
Names and Identifiers
Canonical SmilesCCCNS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
IUPAC Name4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-N-propylbenzenesulfonamide
InChIKeyNBWUKNMMRAAIDL-UHFFFAOYSA-N
INCHI1S/C15H14ClF3N2O3S/c1-2-7-21-25(22,23)12-5-3-11(4-6-12)24-14-13(16)8-10(9-20-14)15(17,18)19/h3-6,8-9,21H,2,7H2,1H3
Isomeric SMILES CCCNS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
PubChem CID 4353061
Molecular Weight 394.8

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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassEthers
Intermediate Tree Nodes Not available
Direct ParentDiarylethers
Alternative Parents Benzenesulfonamides  Benzenesulfonyl compounds  Phenoxy compounds  Phenol ethers  Aryl chlorides  Pyridines and derivatives  Organosulfonamides  Heteroaromatic compounds  Aminosulfonyl compounds  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  Organochlorides  Organofluorides  Organonitrogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Diaryl ether - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Azacycle - Organoheterocyclic compound - Alkyl halide - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Alkyl fluoride - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight394.800 g/mol
XLogP34.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass394.037 Da
Monoisotopic Mass394.037 Da
Topological Polar Surface Area76.700 Ų
Heavy Atom Count25
Formal Charge0
Complexity519.000
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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