Chloroquinoxaline sulfonamide - CAS 97919-22-7

Catalog:	BB069658
Product Name:	Chloroquinoxaline sulfonamide
CAS:	97919-22-7
Synonyms:	4-Amino-N-(5-chloro-2-quinoxalinyl)benzenesulfonamide; CQS; Chlorsulfaquinoxaline; NSC 339004

Technical Data

IUPAC Name:	4-amino-N-(5-chloroquinoxalin-2-yl)benzenesulfonamide
Description:	Chloroquinoxaline sulfonamide is a structural analogue of sulfaquinoxaline and functions as a topoisomerase II alpha/beta poison.
Molecular Weight:	334.78
Molecular Formula:	C14H11ClN4O2S
Canonical SMILES:	C1=CC2=NC(=CN=C2C(=C1)Cl)NS(=O)(=O)C3=CC=C(C=C3)N
InChI:	InChI=1S/C14H11ClN4O2S/c15-11-2-1-3-12-14(11)17-8-13(18-12)19-22(20,21)10-6-4-9(16)5-7-10/h1-8H,16H2,(H,18,19)
InChI Key:	CTSNHMQGVWXIEG-UHFFFAOYSA-N
Melting Point:	>197°C (dec.)
Solubility:	DMSO: 125 mg/mL (373.38 mM)
Appearance:	Solid
Storage:	Store at -20°C
References:	Supuran, C., et al. Eur. J. Med. Chem., 35, 867 (2000).
Stability:	Bulk: the compound is stable at room temperature and ordinary laboratory illumination for at least 90 days

Complexity:	476
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	334.0291245
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	334.0291245
Rotatable Bond Count:	3
Topological Polar Surface Area:	106Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3