TL;DR: 4-[(4-chlorophenyl)sulfanyl]-N-(4-methoxyphenyl)-3-nitrobenzenecarboxamide (CAS 303988-23-0) is a chemical compound with molecular formula C20H15ClN2O4S and molecular weight 414.0441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-3-nitrobenzamide
Also Known As: 11N-672S, 4-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-3-nitrobenzamide, 4-[(4-chlorophenyl)sulfanyl]-N-(4-methoxyphenyl)-3-nitrobenzenecarboxamide, 4-[(4-chlorophenyl)sulfanyl]-N-(4-methoxyphenyl)-3-nitrobenzamide
| Molecular Formula | C20H15ClN2O4S |
| Molecular Weight | 414.0441 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.0441 Da |
| Heavy Atoms | 28 |
| Complexity | 531.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
| InChIKey | YRDGXNRCQGGWMM-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 4-[(4-chlorophenyl)sulfanyl]-N-(4-methoxyphenyl)-3-nitrobenzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-chlorophenyl)sulfanyl]-N-(4-methoxyphenyl)-3-nitrobenzenecarboxamide. Following Lipinski's Rule of Five, 4-[(4-chlorophenyl)sulfanyl]-N-(4-methoxyphenyl)-3-nitrobenzenecarboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-[(4-chlorophenyl)sulfanyl]-N-(4-methoxyphenyl)-3-nitrobenzenecarboxamide is 303988-23-0.
The molecular formula of 4-[(4-chlorophenyl)sulfanyl]-N-(4-methoxyphenyl)-3-nitrobenzenecarboxamide is C20H15ClN2O4S.
The molecular weight of 4-[(4-chlorophenyl)sulfanyl]-N-(4-methoxyphenyl)-3-nitrobenzenecarboxamide is 414.0441 g/mol.
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