TL;DR: 6,7-Bis((phenylsulfonyl)oxy)-2-naphthalenesulfonamide (CAS 63217-38-9) is a chemical compound with molecular formula C22H17NO8S3 and molecular weight 519.01166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(benzenesulfonyloxy)-6-sulfamoylnaphthalen-2-yl] benzenesulfonate
Also Known As: 6-sulfamoylnaphthalene-2,3-diyl dibenzenesulfonate, 2-Naphthalenesulfonamide, 6,7-bis[(phenylsulfonyl)oxy]-, 2-Naphthalenesulfonamide, 6,7-bis((phenylsulfonyl)oxy)-, 6,7-Bis((phenylsulfonyl)oxy)-2-naphthalenesulfonamide, 6,7-bis[(phenylsulphonyl)oxy]naphthalene-2-sulphonamide
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H17NO8S3 |
| Molecular Weight | 519.01166 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.01166 Da |
| Heavy Atoms | 34 |
| Complexity | 998.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C=C(C=CC3=C2)S(=O)(=O)N)OS(=O)(=O)C4=CC=CC=C4 |
| InChIKey | KVZQMLGVEQKEHF-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 6,7-Bis((phenylsulfonyl)oxy)-2-naphthalenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting 6,7-Bis((phenylsulfonyl)oxy)-2-naphthalenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,7-Bis((phenylsulfonyl)oxy)-2-naphthalenesulfonamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6,7-Bis((phenylsulfonyl)oxy)-2-naphthalenesulfonamide is 63217-38-9.
The molecular formula of 6,7-Bis((phenylsulfonyl)oxy)-2-naphthalenesulfonamide is C22H17NO8S3.
The molecular weight of 6,7-Bis((phenylsulfonyl)oxy)-2-naphthalenesulfonamide is 519.01166 g/mol.
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