N-benzyl-N-methyl-4-nitrobenzenesulfonamide
TL;DR: N-benzyl-N-methyl-4-nitrobenzenesulfonamide (CAS 330978-95-5) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-methyl-4-nitrobenzenesulfonamide
Also Known As: N-benzyl-N-methyl-4-nitrobenzenesulfonamide, N-benzyl-N-methyl-4-nitrobenzene-1-sulfonamide, methyl[(4-nitrophenyl)sulfonyl]benzylamine, N-Methyl-N-benzyl-4-nitrobenzenesulfonamide, N-Methyl-4-nitro-N-(phenylmethyl)benzenesulfonamide
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 330978-95-5 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | LVCHFWNSSFJLTB-UHFFFAOYSA-N |
Product Overview
N-benzyl-N-methyl-4-nitrobenzenesulfonamide (CAS 330978-95-5), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: N-benzyl-N-methyl-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-benzyl-N-methyl-4-nitrobenzenesulfonamide
Property Insights of N-benzyl-N-methyl-4-nitrobenzenesulfonamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-N-methyl-4-nitrobenzenesulfonamide. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-N-methyl-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-benzyl-N-methyl-4-nitrobenzenesulfonamide has 0 hydrogen bond donor(s) and 5 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-benzyl-N-methyl-4-nitrobenzenesulfonamide?
The CAS number of N-benzyl-N-methyl-4-nitrobenzenesulfonamide is 330978-95-5.
What is the molecular formula of N-benzyl-N-methyl-4-nitrobenzenesulfonamide?
The molecular formula of N-benzyl-N-methyl-4-nitrobenzenesulfonamide is C14H14N2O4S.
What is the molecular weight of N-benzyl-N-methyl-4-nitrobenzenesulfonamide?
The molecular weight of N-benzyl-N-methyl-4-nitrobenzenesulfonamide is 306.07 g/mol.
Where can I buy N-benzyl-N-methyl-4-nitrobenzenesulfonamide?
You can request a quote for N-benzyl-N-methyl-4-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-N-methyl-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N-methyl-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.