N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide
TL;DR: N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide (CAS 447450-45-5) is a chemical compound with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide
Also Known As: ZERO/003183, N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide, {N}-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide, N-(1,2,3,4-Tetrahydro-isoquinolin-1-ylmethyl)-benzenesulfonamide, (phenylsulfonyl)(1,2,3,4-tetrahydroisoquinolylmethyl)amine
| Molecular Formula | C16H18N2O2S |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.1089 |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 447450-45-5 |
|---|---|
| SMILES | C1CNC(C2=CC=CC=C21)CNS(=O)(=O)C3=CC=CC=C3 |
| InChIKey | NEPGVIUKFMUPGZ-UHFFFAOYSA-N |
Product Overview
N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide (CAS 447450-45-5), with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol. IUPAC: N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide.
Chemical Property Profile of N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide
Property Insights of N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide. Following Lipinski's Rule of Five, N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide?
The CAS number of N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide is 447450-45-5.
What is the molecular formula of N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide?
The molecular formula of N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide is C16H18N2O2S.
What is the molecular weight of N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide?
The molecular weight of N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide is 302.11 g/mol.
Where can I buy N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide?
You can request a quote for N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.