TL;DR: Benzenesulfonamide, 4-bromo-N-(7-diazo-6-oxoheptyl)- (CAS 142963-35-7) is a chemical compound with molecular formula C13H16BrN3O3S and molecular weight 373.00958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-N-(7-diazo-6-oxoheptyl)benzenesulfonamide
Also Known As: 2-Heptanone,6-methyl-6-nitro, Benzenesulfonamide, 4-bromo-N-(7-diazo-6-oxoheptyl)-, 4-bromo-N-(7-diazo-6-oxoheptyl)benzenesulfonamide, 7-[(4-bromophenyl)sulfonylamino]-1-diazoniohept-1-en-2-olate, 7-(4-Bromobenzene-1-sulfonamido)-1-diazoniohept-1-en-2-olate
| Molecular Formula | C13H16BrN3O3S |
| Molecular Weight | 373.00958 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 373.00958 Da |
| Heavy Atoms | 21 |
| Complexity | 475.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)NCCCCCC(=O)C=[N+]=[N-])Br |
| InChIKey | FAPZZFRVLORPBV-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonamide, 4-bromo-N-(7-diazo-6-oxoheptyl)-. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonamide, 4-bromo-N-(7-diazo-6-oxoheptyl)-. Following Lipinski's Rule of Five, Benzenesulfonamide, 4-bromo-N-(7-diazo-6-oxoheptyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzenesulfonamide, 4-bromo-N-(7-diazo-6-oxoheptyl)- is 142963-35-7.
The molecular formula of Benzenesulfonamide, 4-bromo-N-(7-diazo-6-oxoheptyl)- is C13H16BrN3O3S.
The molecular weight of Benzenesulfonamide, 4-bromo-N-(7-diazo-6-oxoheptyl)- is 373.00958 g/mol.
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