TL;DR: 1H-Benzimidazole-2-sulfonamide, 6-nitro-N,N,1-triethyl- (CAS 1152430-27-7) is a chemical compound with molecular formula C13H18N4O4S and molecular weight 326.1049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N,1-triethyl-6-nitrobenzimidazole-2-sulfonamide
Also Known As: 6-Nitro-N,N,1-triethyl-1H-benzimidazole-2-sulfonamide, 1H-Benzimidazole-2-sulfonamide, 6-nitro-N,N,1-triethyl-, N,N,1-triethyl-6-nitrobenzimidazole-2-sulfonamide, 1H-Benzimidazole-2-sulfonamide,N,N,1-triethyl-6-nitro-, tert-butyl N-(1-propanoylpiperidin-4-yl)carbamate
| Molecular Formula | C13H18N4O4S |
| Molecular Weight | 326.1049 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.1049 Da |
| Heavy Atoms | 22 |
| Complexity | 497.0 |
| SMILES | CCN1C2=C(C=CC(=C2)[N+](=O)[O-])N=C1S(=O)(=O)N(CC)CC |
| InChIKey | ZDAZLOGHHTUNIO-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole-2-sulfonamide, 6-nitro-N,N,1-triethyl-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole-2-sulfonamide, 6-nitro-N,N,1-triethyl-. Following Lipinski's Rule of Five, 1H-Benzimidazole-2-sulfonamide, 6-nitro-N,N,1-triethyl- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Benzimidazole-2-sulfonamide, 6-nitro-N,N,1-triethyl- is 1152430-27-7.
The molecular formula of 1H-Benzimidazole-2-sulfonamide, 6-nitro-N,N,1-triethyl- is C13H18N4O4S.
The molecular weight of 1H-Benzimidazole-2-sulfonamide, 6-nitro-N,N,1-triethyl- is 326.1049 g/mol.
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