TL;DR: 3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-8-methoxychromen-2-imine (CAS 1321916-43-1) is a chemical compound with molecular formula C23H18ClNO5S and molecular weight 455.05942 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-8-methoxychromen-2-imine
Also Known As: (2Z)-3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-8-methoxy-2H-chromen-2-imine, F1601-0229, 3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-8-methoxychromen-2-imine, (Z)-3-chloro-4-methoxy-N-(8-methoxy-3-(phenylsulfonyl)-2H-chromen-2-ylidene)aniline, 3-(benzenesulfonyl)-N-(3-chloro-4-methoxy-phenyl)-8-methoxy-chromen-2-imine
| Molecular Formula | C23H18ClNO5S |
| Molecular Weight | 455.05942 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.05942 Da |
| Heavy Atoms | 31 |
| Complexity | 786.0 |
| SMILES | COC1=C(C=C(C=C1)N=C2C(=CC3=C(O2)C(=CC=C3)OC)S(=O)(=O)C4=CC=CC=C4)Cl |
| InChIKey | JASLPPWZSANLCC-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-8-methoxychromen-2-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-8-methoxychromen-2-imine. Following Lipinski's Rule of Five, 3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-8-methoxychromen-2-imine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-8-methoxychromen-2-imine is 1321916-43-1.
The molecular formula of 3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-8-methoxychromen-2-imine is C23H18ClNO5S.
The molecular weight of 3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-8-methoxychromen-2-imine is 455.05942 g/mol.
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