N-Ethynyl-N,4-dimethylbenzenesulfonamide - CAS 1005500-75-3

Catalog:	BB000259
Product Name:	N-Ethynyl-N,4-dimethylbenzenesulfonamide
CAS:	1005500-75-3
Synonyms:	N-ethynyl-N,4-dimethylbenzenesulfonamide; N-ethynyl-N,4-dimethylbenzenesulfonamide

Technical Data

Patents

Computed Properties

IUPAC Name:	N-ethynyl-N,4-dimethylbenzenesulfonamide
Description:	N-Ethynyl-N,4-dimethylbenzenesulfonamide (CAS# 1005500-75-3 ) is a useful research chemical.
Molecular Weight:	209.26
Molecular Formula:	C10H11NO2S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)N(C)C#C
InChI:	InChI=1S/C10H11NO2S/c1-4-11(3)14(12,13)10-7-5-9(2)6-8-10/h1,5-8H,2-3H3
InChI Key:	VRNLIJIYOKNEOP-UHFFFAOYSA-N
Storage:	Inert atmosphere, Room Temperature
LogP:	2.28700

Publication Number	Title	Priority Date
CN-112430199-A	Acetylenic amide mediated thioester compound preparation method	20190824
CN-108383759-B	Amine hydrogenation and phosphine hydrogenation of alkynylamides	20180319
US-2019210957-A1	Mild and efficient preparation method for a-acyloxyenamide compounds and use thereof in synthesis of amide and polypeptide	20160729
US-10836707-B2	Mild and efficient preparation method for Î±-acyloxyenamide compounds and use thereof in synthesis of amide and polypeptide	20160729
US-2020299226-A1	Mild and efficient preparation method for a-acyloxyenamide compounds and use thereof in synthesis of amide and polypeptide	20160729

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Complexity:	325
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.05104977
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.05104977
Rotatable Bond Count:	3
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8