TL;DR: 4-((2-Bromoethyl)(2-bromopropyl)amino)benzenesulfonamide (CAS 1421-00-7) is a chemical compound with molecular formula C11H16Br2N2O2S and molecular weight 397.92993 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-bromoethyl(3-bromopropyl)amino]benzenesulfonamide
Also Known As: T-18, T 18, 4-((2-Bromoethyl)(2-bromopropyl)amino)benzenesulfonamide, 4-[2-bromoethyl(3-bromopropyl)amino]benzenesulfonamide, 4-[(2-bromoethyl)(3-bromopropyl)amino]benzenesulfonamide
| Molecular Formula | C11H16Br2N2O2S |
| Molecular Weight | 397.92993 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.92786 Da |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
| SMILES | C1=CC(=CC=C1N(CCCBr)CCBr)S(=O)(=O)N |
| InChIKey | HFKONGLDMIHZRA-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-Bromoethyl)(2-bromopropyl)amino)benzenesulfonamide. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Bromoethyl)(2-bromopropyl)amino)benzenesulfonamide. Following Lipinski's Rule of Five, 4-((2-Bromoethyl)(2-bromopropyl)amino)benzenesulfonamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-((2-Bromoethyl)(2-bromopropyl)amino)benzenesulfonamide is 1421-00-7.
The molecular formula of 4-((2-Bromoethyl)(2-bromopropyl)amino)benzenesulfonamide is C11H16Br2N2O2S.
The molecular weight of 4-((2-Bromoethyl)(2-bromopropyl)amino)benzenesulfonamide is 397.92993 g/mol.
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