TL;DR: 4-{2-[(Pyridin-3-ylmethyl)-amino]-ethyl}-benzenesulfonamide (CAS 1030024-37-3) is a chemical compound with molecular formula C14H18ClN3O2S and molecular weight 327.0808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
Also Known As: 4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide Hydrochloride, 4-{2-[(Pyridin-3-ylmethyl)-amino]-ethyl}-benzenesulfonamide, 4-(2-((pyridin-3-ylmethyl)amino)ethyl)benzenesulfonamide hydrochloride
| Molecular Formula | C14H18ClN3O2S |
| Molecular Weight | 327.0808 g/mol |
| XLogP | 1.4831 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.0808 Da |
| Heavy Atoms | 21 |
| Complexity | 372.0 |
| SMILES | C1=CC(=CN=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N.Cl |
| InChIKey | BVYXIPAEFQMDMF-UHFFFAOYSA-N |
The XLogP value of 1.4831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[(Pyridin-3-ylmethyl)-amino]-ethyl}-benzenesulfonamide. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[(Pyridin-3-ylmethyl)-amino]-ethyl}-benzenesulfonamide. Following Lipinski's Rule of Five, 4-{2-[(Pyridin-3-ylmethyl)-amino]-ethyl}-benzenesulfonamide has 3 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 4-{2-[(Pyridin-3-ylmethyl)-amino]-ethyl}-benzenesulfonamide is 1030024-37-3.
The molecular formula of 4-{2-[(Pyridin-3-ylmethyl)-amino]-ethyl}-benzenesulfonamide is C14H18ClN3O2S.
The molecular weight of 4-{2-[(Pyridin-3-ylmethyl)-amino]-ethyl}-benzenesulfonamide is 327.0808 g/mol.
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