![2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide structure](/static/products/3354/335424-91-4.webp)
2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
TL;DR: 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide (CAS 335424-91-4) is a chemical compound with molecular formula C18H18Cl2N2O3S and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
Also Known As: 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide, 2,5-dichloro-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-methylbenzenesulfonamide, 2-{[(2,5-dichlorophenyl)sulfonyl]methylamino}-1-(2-1,2,3,4-tetrahydroisoquinol yl)ethan-1-one
| Molecular Formula | C18H18Cl2N2O3S |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | 3.1988 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.0415 |
| Heavy Atoms | 26 |
| Complexity | 947.20245 |
Chemical Identifiers
| CAS Number | 335424-91-4 |
|---|---|
| SMILES | CN(CC(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl |
Product Overview
2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide (CAS 335424-91-4), with molecular formula C18H18Cl2N2O3S and molecular weight 412.04 g/mol. IUPAC: 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide.
Chemical Property Profile of 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
Property Insights of 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
The XLogP value of 3.1988 indicates that 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide has 0 hydrogen bond donor(s) and 3 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 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The CAS number of 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide is 335424-91-4.
What is the molecular formula of 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The molecular formula of 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide is C18H18Cl2N2O3S.
What is the molecular weight of 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The molecular weight of 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide is 412.04 g/mol.
Where can I buy 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
You can request a quote for 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.