TL;DR: (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)formamide (CAS 1024407-13-3) is a chemical compound with molecular formula C25H13Cl2F3N2OS2 and molecular weight 547.97986 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]benzo[g][1]benzothiole-2-carboxamide
Also Known As: (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)formamide, 3-chloro-N-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]benzo[g][1]benzothiole-2-carboxamide, 3-chloro-N-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)naphtho[1,2-b]thiophene-2-carboxamide, 3-chloro-N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]benzo[g]benzothiophene-2-carboxamide, C25H13Cl2F3N2OS2
| Molecular Formula | C25H13Cl2F3N2OS2 |
| Molecular Weight | 547.97986 g/mol |
| XLogP | 8.8 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 547.97986 Da |
| Heavy Atoms | 35 |
| Complexity | 755.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2SC(=C3Cl)C(=O)NC4=CC=C(C=C4)SC5=C(C=C(C=N5)C(F)(F)F)Cl |
| InChIKey | UOKPCCFBMCLVDJ-UHFFFAOYSA-N |
The XLogP value of 8.8 indicates that (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)formamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)formamide. Following Lipinski's Rule of Five, (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)formamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)formamide is 1024407-13-3.
The molecular formula of (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)formamide is C25H13Cl2F3N2OS2.
The molecular weight of (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(3-chloro-5-(trifluoromethyl)(2-pyridylthio))phenyl)formamide is 547.97986 g/mol.
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