![4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline structure](/static/products/6051/60515-99-3.webp)
4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline
TL;DR: 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline (CAS 60515-99-3) is a chemical compound with molecular formula C18H21N3O4S and molecular weight 375.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)sulfonyl-N-(piperidin-1-ylmethyl)aniline
Also Known As: 4-(4-nitrophenyl)sulfonyl-N-(piperidin-1-ylmethyl)aniline, 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline
| Molecular Formula | C18H21N3O4S |
|---|---|
| Molecular Weight | 375.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.12527 |
| Heavy Atoms | 26 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 60515-99-3 |
|---|---|
| SMILES | C1CCN(CC1)CNC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | IONNLWUUCPQVFG-UHFFFAOYSA-N |
Product Overview
4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline (CAS 60515-99-3), with molecular formula C18H21N3O4S and molecular weight 375.13 g/mol. IUPAC: 4-(4-nitrophenyl)sulfonyl-N-(piperidin-1-ylmethyl)aniline.
Chemical Property Profile of 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline
Property Insights of 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline
The XLogP value of 3.5 indicates that 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline. Following Lipinski's Rule of Five, 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline has 1 hydrogen bond donor(s) and 6 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 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline?
The CAS number of 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline is 60515-99-3.
What is the molecular formula of 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline?
The molecular formula of 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline is C18H21N3O4S.
What is the molecular weight of 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline?
The molecular weight of 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline is 375.13 g/mol.
Where can I buy 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline?
You can request a quote for 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Nitrobenzene-1-sulfonyl)-N-[(piperidin-1-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.