TL;DR: (E)-3-(3-(N-(1,1-dioxidotetrahydrothiophen-3-yl)sulfamoyl)-4-methylphenyl)acrylic acid (CAS 1268703-93-0) is a chemical compound with molecular formula C14H17NO6S2 and molecular weight 359.04974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-4-methylphenyl]prop-2-enoic acid
Also Known As: (E)-3-(3-(N-(1,1-dioxidotetrahydrothiophen-3-yl)sulfamoyl)-4-methylphenyl)acrylic acid, F1012-0074, (2E)-3-{3-[(1,1-dioxo-1lambda6-thiolan-3-yl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid, (E)-3-[3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-4-methylphenyl]prop-2-enoic acid, 3-(3-{[(1,1-dioxidotetrahydro-3-thienyl)amino]sulfonyl}-4-methylphenyl)acrylic acid
| Molecular Formula | C14H17NO6S2 |
| Molecular Weight | 359.04974 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.04974 Da |
| Heavy Atoms | 23 |
| Complexity | 671.0 |
| SMILES | CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NC2CCS(=O)(=O)C2 |
| InChIKey | MDZSABYRLMBSCJ-SNAWJCMRSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(3-(N-(1,1-dioxidotetrahydrothiophen-3-yl)sulfamoyl)-4-methylphenyl)acrylic acid. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-(N-(1,1-dioxidotetrahydrothiophen-3-yl)sulfamoyl)-4-methylphenyl)acrylic acid. Following Lipinski's Rule of Five, (E)-3-(3-(N-(1,1-dioxidotetrahydrothiophen-3-yl)sulfamoyl)-4-methylphenyl)acrylic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-3-(3-(N-(1,1-dioxidotetrahydrothiophen-3-yl)sulfamoyl)-4-methylphenyl)acrylic acid is 1268703-93-0.
The molecular formula of (E)-3-(3-(N-(1,1-dioxidotetrahydrothiophen-3-yl)sulfamoyl)-4-methylphenyl)acrylic acid is C14H17NO6S2.
The molecular weight of (E)-3-(3-(N-(1,1-dioxidotetrahydrothiophen-3-yl)sulfamoyl)-4-methylphenyl)acrylic acid is 359.04974 g/mol.
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