TL;DR: 2-[(4-tert-butylphenyl)sulfonylamino]acetic Acid (CAS 159855-97-7) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-tert-butylphenyl)sulfonylamino]acetic acid
Also Known As: 2-[(4-tert-butylphenyl)sulfonylamino]acetic Acid, ((4-(tert-butyl)phenyl)sulfonyl)glycine, 2-(4-(tert-butyl)phenylsulfonamido)acetic acid, 2-(4-tert-butylbenzenesulfonamido)acetic acid, N-(4-tert-Butylbenzene-1-sulfonyl)glycine
| Molecular Formula | C12H17NO4S |
| Molecular Weight | 271.08783 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.08783 Da |
| Heavy Atoms | 18 |
| Complexity | 383.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)O |
| InChIKey | PDIQLCAEGLVCLL-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-tert-butylphenyl)sulfonylamino]acetic Acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-tert-butylphenyl)sulfonylamino]acetic Acid. Following Lipinski's Rule of Five, 2-[(4-tert-butylphenyl)sulfonylamino]acetic Acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(4-tert-butylphenyl)sulfonylamino]acetic Acid is 159855-97-7.
The molecular formula of 2-[(4-tert-butylphenyl)sulfonylamino]acetic Acid is C12H17NO4S.
The molecular weight of 2-[(4-tert-butylphenyl)sulfonylamino]acetic Acid is 271.08783 g/mol.
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