TL;DR: (E)-N-(4-chloro-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-(4-methylphenylsulfonamido)benzamide (CAS 1005948-42-4) is a chemical compound with molecular formula C23H20ClN3O3S2 and molecular weight 485.06348 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide
Also Known As: (E)-N-(4-chloro-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-(4-methylphenylsulfonamido)benzamide, N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide, F1381-2041, N-[(2E)-4-chloro-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(4-methylbenzenesulfonamido)benzamide, N-(4-chloro-3-ethyl-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide
| Molecular Formula | C23H20ClN3O3S2 |
| Molecular Weight | 485.06348 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.06348 Da |
| Heavy Atoms | 32 |
| Complexity | 808.0 |
| SMILES | CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | RAGOJXGBBARZDR-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that (E)-N-(4-chloro-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-(4-methylphenylsulfonamido)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(4-chloro-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-(4-methylphenylsulfonamido)benzamide. Following Lipinski's Rule of Five, (E)-N-(4-chloro-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-(4-methylphenylsulfonamido)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-N-(4-chloro-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-(4-methylphenylsulfonamido)benzamide is 1005948-42-4.
The molecular formula of (E)-N-(4-chloro-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-(4-methylphenylsulfonamido)benzamide is C23H20ClN3O3S2.
The molecular weight of (E)-N-(4-chloro-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-2-(4-methylphenylsulfonamido)benzamide is 485.06348 g/mol.
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