TL;DR: 2-Naphthalenesulfonyl chloride, 6,7-bis[(phenylsulfonyl)oxy]- (CAS 63217-39-0) is a chemical compound with molecular formula C22H15ClO8S3 and molecular weight 537.96173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(benzenesulfonyloxy)-6-chlorosulfonylnaphthalen-2-yl] benzenesulfonate
Also Known As: 2-Naphthalenesulfonyl chloride, 6,7-bis((phenylsulfonyl)oxy)-, 6,7-bis[oxy]naphthalene-2-sulphonylchloride, 2-Naphthalenesulfonyl chloride, 6,7-bis[(phenylsulfonyl)oxy]-, 6,7-bis[ oxy]naphthalene-2-sulphonylchloride, 6-(chlorosulfonyl)naphthalene-2,3-diyl dibenzenesulfonate
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H15ClO8S3 |
| Molecular Weight | 537.96173 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 537.96173 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)Cl)OS(=O)(=O)C4=CC=CC=C4 |
| InChIKey | LPVTZQLZNSDOAF-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 2-Naphthalenesulfonyl chloride, 6,7-bis[(phenylsulfonyl)oxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting 2-Naphthalenesulfonyl chloride, 6,7-bis[(phenylsulfonyl)oxy]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Naphthalenesulfonyl chloride, 6,7-bis[(phenylsulfonyl)oxy]- has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Naphthalenesulfonyl chloride, 6,7-bis[(phenylsulfonyl)oxy]- is 63217-39-0.
The molecular formula of 2-Naphthalenesulfonyl chloride, 6,7-bis[(phenylsulfonyl)oxy]- is C22H15ClO8S3.
The molecular weight of 2-Naphthalenesulfonyl chloride, 6,7-bis[(phenylsulfonyl)oxy]- is 537.96173 g/mol.
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