TL;DR: 1-(3,5-Dimethoxyphenyl)-3-[(2,4,5-trichlorophenyl)sulfonylamino]urea (CAS 1022352-91-5) is a chemical compound with molecular formula C15H14Cl3N3O5S and molecular weight 452.972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,5-dimethoxyphenyl)-3-[(2,4,5-trichlorophenyl)sulfonylamino]urea
Also Known As: 1-(3,5-dimethoxyphenyl)-3-[(2,4,5-trichlorophenyl)sulfonylamino]urea, 4-(3,5-DIMETHOXYPHENYL)-1-((2,4,5-TRICHLOROPHENYL)SULFONYL)SEMICARBAZIDE, 1-(3,5-dimethoxyphenyl)-3-(2,4,5-trichlorobenzenesulfonamido)urea, 3-(3,5-dimethoxyphenyl)-1-[(2,4,5-trichlorophenyl)sulfonylamino]urea, C15H14Cl3N3O5S
| Molecular Formula | C15H14Cl3N3O5S |
| Molecular Weight | 452.972 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.972 Da |
| Heavy Atoms | 27 |
| Complexity | 594.0 |
| SMILES | COC1=CC(=CC(=C1)NC(=O)NNS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)OC |
| InChIKey | DMFICCAMGAJHON-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 1-(3,5-Dimethoxyphenyl)-3-[(2,4,5-trichlorophenyl)sulfonylamino]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-Dimethoxyphenyl)-3-[(2,4,5-trichlorophenyl)sulfonylamino]urea. Following Lipinski's Rule of Five, 1-(3,5-Dimethoxyphenyl)-3-[(2,4,5-trichlorophenyl)sulfonylamino]urea has 3 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 1-(3,5-Dimethoxyphenyl)-3-[(2,4,5-trichlorophenyl)sulfonylamino]urea is 1022352-91-5.
The molecular formula of 1-(3,5-Dimethoxyphenyl)-3-[(2,4,5-trichlorophenyl)sulfonylamino]urea is C15H14Cl3N3O5S.
The molecular weight of 1-(3,5-Dimethoxyphenyl)-3-[(2,4,5-trichlorophenyl)sulfonylamino]urea is 452.972 g/mol.
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