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(S)-(−)-N-[1-(Hydroxymethyl)-2-phenylethyl]-4-methylbenzenesulfonamide - 97%, high purity , CAS No.82495-70-3

COA

Grade & Purity:

≥97%

Cas Number: 82495-70-3
Molecular Weight: 305.39
MDL number: MFCD00799551
PubChem CID: 688331

In stock

Item Number

S469710

Grouped product items
SKU	Size	Availability	Price	Qty
S469710-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
S469710-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90

Basic Description

Synonyms	(S)-N-(1-Hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide \| DTXSID80350878 \| SCHEMBL21808621 \| (S)-(-)-N-[1-(Hydroxymethyl)-2-phenylethyl]-4-methylbenzenesulfonamide \| (S)-(-)-N-[1-(Hydroxymethyl)-2-Phenylethyl]-4-Methyl-Benzenesulfonamide \| (S)-3-
Specifications & Purity	≥97%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes
      - Level5 Tosyl compounds
        Level6 P-toluenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Tosyl compounds
Direct Parent	P-toluenesulfonamides
Alternative Parents	Benzenesulfonamides Amphetamines and derivatives Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-toluenesulfonamide - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
INCHI	InChI=1S/C16H19NO3S/c1-13-7-9-16(10-8-13)21(19,20)17-15(12-18)11-14-5-3-2-4-6-14/h2-10,15,17-18H,11-12H2,1H3/t15-/m0/s1
InChIKey	QSUGRMCPSKTJTP-HNNXBMFYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)CO
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)CO
WGK Germany	3
PubChem CID	688331
Molecular Weight	305.39

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Specific Rotation[α]	[α]22/D −19°, c = 1 in chloroform 236
Melt Point(°C)	63-67 °C (lit.)
Molecular Weight	305.400 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	305.109 Da
Monoisotopic Mass	305.109 Da
Topological Polar Surface Area	74.800 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	390.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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