TL;DR: 3-Amino-4-bromobenzenesulfonamide (CAS 100367-90-6) is a chemical compound with molecular formula C6H7BrN2O2S and molecular weight 249.94116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-4-bromobenzenesulfonamide
Also Known As: 3-amino-4-bromobenzenesulfonamide, 3-AMINO-4-BROMOBENZENE-1-SULFONAMIDE, 3-Amino-4-bromobenzenesulphonamide, 3-azanyl-4-bromanyl-benzenesulfonamide, Benzenesulfonamide, 3-amino-4-bromo-
| Molecular Formula | C6H7BrN2O2S |
| Molecular Weight | 249.94116 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.94116 Da |
| Heavy Atoms | 12 |
| Complexity | 249.0 |
| SMILES | C1=CC(=C(C=C1S(=O)(=O)N)N)Br |
| InChIKey | AUFMHQSAEAOXHZ-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-bromobenzenesulfonamide. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-bromobenzenesulfonamide. Following Lipinski's Rule of Five, 3-Amino-4-bromobenzenesulfonamide has 2 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 3-Amino-4-bromobenzenesulfonamide is 100367-90-6.
The molecular formula of 3-Amino-4-bromobenzenesulfonamide is C6H7BrN2O2S.
The molecular weight of 3-Amino-4-bromobenzenesulfonamide is 249.94116 g/mol.
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