TL;DR: 3-Chloro-n-(4-[(pyrimidin-2-ylamino)sulfonyl]phenyl)propanamide (CAS 104246-34-6) is a chemical compound with molecular formula C13H13ClN4O3S and molecular weight 340.0397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
Also Known As: 3-Chloro-n-(4-[(pyrimidin-2-ylamino)sulfonyl]phenyl)propanamide, 3-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide, 4-(3-chloropropanoylamino)benzenesulfonamide, Propanamide, 3-chloro-N-[4-[(2-pyrimidinylamino)sulfonyl]phenyl]-, 3-CHLORO-N-{4-[(PYRIMIDIN-2-YL)SULFAMOYL]PHENYL}PROPANAMIDE
| Molecular Formula | C13H13ClN4O3S |
| Molecular Weight | 340.0397 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.0397 Da |
| Heavy Atoms | 22 |
| Complexity | 454.0 |
| SMILES | C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCl |
| InChIKey | POMWCEOXFWTEQP-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-n-(4-[(pyrimidin-2-ylamino)sulfonyl]phenyl)propanamide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-n-(4-[(pyrimidin-2-ylamino)sulfonyl]phenyl)propanamide. Following Lipinski's Rule of Five, 3-Chloro-n-(4-[(pyrimidin-2-ylamino)sulfonyl]phenyl)propanamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Chloro-n-(4-[(pyrimidin-2-ylamino)sulfonyl]phenyl)propanamide is 104246-34-6.
The molecular formula of 3-Chloro-n-(4-[(pyrimidin-2-ylamino)sulfonyl]phenyl)propanamide is C13H13ClN4O3S.
The molecular weight of 3-Chloro-n-(4-[(pyrimidin-2-ylamino)sulfonyl]phenyl)propanamide is 340.0397 g/mol.
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