TL;DR: METHYL 2-(2-(((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE (CAS 1024317-10-9) is a chemical compound with molecular formula C23H20ClF3N2O6S2 and molecular weight 576.04034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]sulfamoyl]-4,5-dimethoxyphenyl]acetate
Also Known As: METHYL 2-(2-(((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE, methyl 2-[2-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]sulfamoyl]-4,5-dimethoxyphenyl]acetate, methyl 2-[2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]sulfamoyl]-4,5-dimethoxy-phenyl]acetate, methyl 2-{2-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)sulfamoyl]-4,5-dimethoxyphenyl}acetate, C23H20ClF3N2O6S2
| Molecular Formula | C23H20ClF3N2O6S2 |
| Molecular Weight | 576.04034 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 576.04034 Da |
| Heavy Atoms | 37 |
| Complexity | 854.0 |
| SMILES | COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)NC2=CC=C(C=C2)SC3=C(C=C(C=N3)C(F)(F)F)Cl)OC |
| InChIKey | JTRZXQLZBNMQIJ-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that METHYL 2-(2-(((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 2-(2-(((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE. Following Lipinski's Rule of Five, METHYL 2-(2-(((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of METHYL 2-(2-(((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE is 1024317-10-9.
The molecular formula of METHYL 2-(2-(((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE is C23H20ClF3N2O6S2.
The molecular weight of METHYL 2-(2-(((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE is 576.04034 g/mol.
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