N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide
TL;DR: N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide (CAS 701219-35-4) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide
Also Known As: N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide, N-benzyl-3-nitro-N-(propan-2-yl)benzenesulfonamide, (methylethyl)[(3-nitrophenyl)sulfonyl]benzylamine, N-BENZYL-N-ISOPROPYL-3-NITRO-1-BENZENESULFONAMIDE
| Molecular Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 3.1941 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.09872 |
| Heavy Atoms | 23 |
| Complexity | 788.73737 |
Chemical Identifiers
| CAS Number | 701219-35-4 |
|---|---|
| SMILES | CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide (CAS 701219-35-4), with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol. IUPAC: N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide.
Chemical Property Profile of N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide
Property Insights of N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide
The XLogP value of 3.1941 indicates that N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide. Following Lipinski's Rule of Five, N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide has 0 hydrogen bond donor(s) and 4 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-3-nitro-N-propan-2-ylbenzenesulfonamide?
The CAS number of N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide is 701219-35-4.
What is the molecular formula of N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide?
The molecular formula of N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide is C16H18N2O4S.
What is the molecular weight of N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide?
The molecular weight of N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide is 334.10 g/mol.
Where can I buy N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide?
You can request a quote for N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.