N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide
TL;DR: N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide (CAS 19044-93-0) is a chemical compound with molecular formula C12H16N4O6S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-3,5-dinitro-4-piperidin-1-ylbenzenesulfonamide
Also Known As: N-methyl-3,5-dinitro-4-(1-piperidyl)benzenesulfonamide, N-methyl-3,5-dinitro-4-piperidin-1-ylbenzenesulfonamide, N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide, Benzenesulfonamide, N-methyl-3,5-dinitro-4-(1-piperidinyl)-, N-METHYL-3,5-DINITRO-4-(PIPERIDIN-1-YL)BENZENESULFONAMIDE
| Molecular Formula | C12H16N4O6S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.07904 |
| Heavy Atoms | 23 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 19044-93-0 |
|---|---|
| SMILES | CNS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCCCC2)[N+](=O)[O-] |
| InChIKey | AOPLASFAHDNPCE-UHFFFAOYSA-N |
Product Overview
N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide (CAS 19044-93-0), with molecular formula C12H16N4O6S and molecular weight 344.08 g/mol. IUPAC: N-methyl-3,5-dinitro-4-piperidin-1-ylbenzenesulfonamide.
Chemical Property Profile of N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide
Property Insights of N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide. The TPSA of 149.0 Ų indicates high polarity, suggesting N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide has 1 hydrogen bond donor(s) and 8 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-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide?
The CAS number of N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide is 19044-93-0.
What is the molecular formula of N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide?
The molecular formula of N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide is C12H16N4O6S.
What is the molecular weight of N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide?
The molecular weight of N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide is 344.08 g/mol.
Where can I buy N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide?
You can request a quote for N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-3,5-dinitro-4-(piperidin-1-yl)benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.