TL;DR: Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-((phenylamino)carbonyl)- (CAS 113849-24-4) is a chemical compound with molecular formula C22H16Br2N4O4S and molecular weight 589.9259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]sulfonyl-3-phenylurea
Also Known As: Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-((phenylamino)carbonyl)-, 1-[4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]sulfonyl-3-phenylurea, 3-[4-(6,8-dibromo-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzenesulfonyl]-1-phenylurea, 4-(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(phenylcarbamoyl)benzenesulfonamide, Benzenesulfonamide,4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-[(phenylamino)carbonyl]-
| Molecular Formula | C22H16Br2N4O4S |
| Molecular Weight | 589.9259 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 589.9259 Da |
| Heavy Atoms | 33 |
| Complexity | 879.0 |
| SMILES | CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4=CC=CC=C4 |
| InChIKey | VJYMLIGOUYFXEP-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-((phenylamino)carbonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-((phenylamino)carbonyl)-. Following Lipinski's Rule of Five, Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-((phenylamino)carbonyl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-((phenylamino)carbonyl)- is 113849-24-4.
The molecular formula of Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-((phenylamino)carbonyl)- is C22H16Br2N4O4S.
The molecular weight of Benzenesulfonamide, 4-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-N-((phenylamino)carbonyl)- is 589.9259 g/mol.
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