O-Ethyl Chlorthalidone Hydrate - CAS 1369588-00-0

Catalog:	BB065784
Product Name:	O-Ethyl Chlorthalidone Hydrate
CAS:	1369588-00-0
Synonyms:	O-Ethyl Chlorthalidone; 2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide; Chlorthalidone Impurity D; Chlorthalidone Ethyl Ether; O-Ethyl Chlorthalidone; 2-Chloro-5[(1RS)-1-ethoxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzene sulfonamide

Technical Data

IUPAC Name:	2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
Molecular Weight:	384.83
Molecular Formula:	C16H17ClN2O5S
Canonical SMILES:	CCOC1(C2=CC=CC=C2C(=O)N1)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
InChI:	InChI=1S/C16H15ClN2O4S/c1-2-23-16(12-6-4-3-5-11(12)15(20)19-16)10-7-8-13(17)14(9-10)24(18,21)22/h3-9H,2H2,1H3,(H,19,20)(H2,18,21,22)
InChI Key:	XAYIDIRKYMLVTP-UHFFFAOYSA-N
References:	Beisenherz, et al. Arch. Int. Pharmacodyn. Ther., 161, 76 (1966); Zsoter, et al. J. Pharmacol. Exp. Ther., 180, 723 (1972); Singer, J.M., et al. Anal. Profiles Drug Subs., 14, 1 (1985).

Complexity:	593
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	366.0441058
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	366.0441058
Rotatable Bond Count:	4
Topological Polar Surface Area:	107Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8