N-2-Hydroxyethyl-N-methyl-p-toluenesulfonamide - CAS 59724-61-7

Catalog:	BB063620
Product Name:	N-2-Hydroxyethyl-N-methyl-p-toluenesulfonamide
CAS:	59724-61-7
Synonyms:	N-(2-Hydroxyethyl)-N-methyltoluenesulfonamide; NSC 30139; N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide

Technical Data

IUPAC Name:	N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
Description:	N-2-Hydroxyethyl-N-methyl-p-toluenesulfonamide, is used for the preparation of Rosiglitazone (R693500) derivatives, acting as antidiabetic agents.
Molecular Weight:	229.3
Molecular Formula:	C10H15NO3S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)N(C)CCO
InChI:	InChI=1S/C10H15NO3S/c1-9-3-5-10(6-4-9)15(13,14)11(2)7-8-12/h3-6,12H,7-8H2,1-2H3
InChI Key:	AGEWHYGRSGMMJE-UHFFFAOYSA-N
References:	Cantello, B.C.C., et al. J. Med. Chem., 37, 3977 (1994), Oakes, N.D., et al. Diabetes, 43, 1203 (1994), Balton, G.C., et al. Xenobiotica, 26, 627 (1996).

Complexity:	276
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.07726451
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.07726451
Rotatable Bond Count:	4
Topological Polar Surface Area:	66Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8