![2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline structure](/static/products/4399/439946-52-8.webp)
2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline
TL;DR: 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline (CAS 439946-52-8) is a chemical compound with molecular formula C22H23N5O4S and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline
Also Known As: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline, 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline, 2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)aniline, 4-{4-nitro-3-[(3-pyridylmethyl)amino]phenyl}-1-(phenylsulfonyl)piperazine, 5-[4-(BENZENESULFONYL)PIPERAZIN-1-YL]-2-NITRO-N-[(PYRIDIN-3-YL)METHYL]ANILINE
| Molecular Formula | C22H23N5O4S |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 3.1128 |
| Topological Polar Surface Area | 108.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.14706 |
| Heavy Atoms | 32 |
| Complexity | 1181.4578 |
Chemical Identifiers
| CAS Number | 439946-52-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline (CAS 439946-52-8), with molecular formula C22H23N5O4S and molecular weight 453.15 g/mol. IUPAC: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline.
Chemical Property Profile of 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline
Property Insights of 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline
The XLogP value of 3.1128 indicates that 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline. Following Lipinski's Rule of Five, 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline has 1 hydrogen bond donor(s) and 7 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-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline?
The CAS number of 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline is 439946-52-8.
What is the molecular formula of 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline?
The molecular formula of 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline is C22H23N5O4S.
What is the molecular weight of 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline?
The molecular weight of 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline is 453.15 g/mol.
Where can I buy 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline?
You can request a quote for 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]-N-(3-pyridinylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.