TL;DR: N-(3-bicyclo[2.2.1]heptanylmethyl)-7-nitrodibenzofuran-2-sulfonamide (CAS 1005277-30-4) is a chemical compound with molecular formula C20H20N2O5S and molecular weight 400.10928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-bicyclo[2.2.1]heptanylmethyl)-7-nitrodibenzofuran-2-sulfonamide
Also Known As: N-(bicyclo[2.2.1]hept-2-ylmethyl)-7-nitrodibenzo[b,d]furan-2-sulfonamide, N-(3-bicyclo[2.2.1]heptanylmethyl)-7-nitrodibenzofuran-2-sulfonamide, (bicyclo[2.2.1]hept-2-ylmethyl)[(7-nitrobenzo[3,4-d]benzo[b]furan-2-yl)sulfony l]amine
| Molecular Formula | C20H20N2O5S |
| Molecular Weight | 400.10928 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.10928 Da |
| Heavy Atoms | 28 |
| Complexity | 717.0 |
| SMILES | C1CC2CC1CC2CNS(=O)(=O)C3=CC4=C(C=C3)OC5=C4C=CC(=C5)[N+](=O)[O-] |
| InChIKey | XWPIHVWHLMZSNW-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that N-(3-bicyclo[2.2.1]heptanylmethyl)-7-nitrodibenzofuran-2-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bicyclo[2.2.1]heptanylmethyl)-7-nitrodibenzofuran-2-sulfonamide. Following Lipinski's Rule of Five, N-(3-bicyclo[2.2.1]heptanylmethyl)-7-nitrodibenzofuran-2-sulfonamide has 1 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 N-(3-bicyclo[2.2.1]heptanylmethyl)-7-nitrodibenzofuran-2-sulfonamide is 1005277-30-4.
The molecular formula of N-(3-bicyclo[2.2.1]heptanylmethyl)-7-nitrodibenzofuran-2-sulfonamide is C20H20N2O5S.
The molecular weight of N-(3-bicyclo[2.2.1]heptanylmethyl)-7-nitrodibenzofuran-2-sulfonamide is 400.10928 g/mol.
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