![N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide structure](/static/products/7012/701288-27-9.webp)
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
TL;DR: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide (CAS 701288-27-9) is a chemical compound with molecular formula C27H28FN3O6S and molecular weight 541.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
Also Known As: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide, N-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide, N-{2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl}-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide (non-preferred name), N-{2-[4-(2H-1,3-BENZODIOXOL-5-YLMETHYL)PIPERAZIN-1-YL]-2-OXOETHYL}-4-FLUORO-N-(4-METHOXYPHENYL)BENZENESULFONAMIDE
| Molecular Formula | C27H28FN3O6S |
|---|---|
| Molecular Weight | 541.17 g/mol |
| LogP | 3.1027 |
| Topological Polar Surface Area | 88.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 541.1683 |
| Heavy Atoms | 38 |
| Complexity | 1391.3153 |
Chemical Identifiers
| CAS Number | 701288-27-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)F |
Product Overview
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide (CAS 701288-27-9), with molecular formula C27H28FN3O6S and molecular weight 541.17 g/mol. IUPAC: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide.
Chemical Property Profile of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
Property Insights of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
The XLogP value of 3.1027 indicates that N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide. Following Lipinski's Rule of Five, N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The CAS number of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide is 701288-27-9.
What is the molecular formula of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The molecular formula of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide is C27H28FN3O6S.
What is the molecular weight of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The molecular weight of N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide is 541.17 g/mol.
Where can I buy N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
You can request a quote for N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.