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 |
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: | 106Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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