TL;DR: 2-(4-Iodobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide (CAS 55371-84-1) is a chemical compound with molecular formula C10H9IN4O3S2 and molecular weight 423.91608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-iodo-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide
Also Known As: 4-Iodo-N- benzamide, 2-(4-Iodobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide, 5-(4-Iodobenzoylimino)-4-methyl-delta(sup 2)-1,3,4-thiadiazoline-2-sulfonamide, Benzamide, 4-iodo-N-(4-methyl-2-sulfamoyl-delta(sup 2)-1,3,4-thiadiazolin-5-ylidene)-, 4-Iodo-N-(4,5-dihydro-4-methyl-2-sulfamoyl-1,3,4-thiadiazol-5-ylidene)benzamide
| Molecular Formula | C10H9IN4O3S2 |
| Molecular Weight | 423.91608 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.91608 Da |
| Heavy Atoms | 20 |
| Complexity | 562.0 |
| SMILES | CN1C(=NC(=O)C2=CC=C(C=C2)I)SC(=N1)S(=O)(=O)N |
| InChIKey | GLMILQUITQKQHT-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Iodobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Iodobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide. Following Lipinski's Rule of Five, 2-(4-Iodobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide has 1 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 2-(4-Iodobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide is 55371-84-1.
The molecular formula of 2-(4-Iodobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide is C10H9IN4O3S2.
The molecular weight of 2-(4-Iodobenzoylimino)-3-methyl-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide is 423.91608 g/mol.
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