TL;DR: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitrobenzamide (CAS 132593-35-2) is a chemical compound with molecular formula C18H15N5O5S and molecular weight 413.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitrobenzamide
Also Known As: J2.037.641D, N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitrobenzamide, N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-nitrobenzamide, N-(4-(N-(4-methylpyrimidin-2-yl)sulfamoyl)phenyl)-3-nitrobenzamide, N-[4-(4-Methyl-2-pyrimidinylaminosulfonyl)phenyl]-3-nitrobenzamide
| Molecular Formula | C18H15N5O5S |
| Molecular Weight | 413.07938 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.07938 Da |
| Heavy Atoms | 29 |
| Complexity | 684.0 |
| SMILES | CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | PBXSVUOHSYXTOG-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitrobenzamide. The TPSA of 155.0 Ų indicates high polarity, suggesting N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitrobenzamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitrobenzamide is 132593-35-2.
The molecular formula of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitrobenzamide is C18H15N5O5S.
The molecular weight of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-nitrobenzamide is 413.07938 g/mol.
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