N-benzyl-4-methyl-3-nitrobenzenesulfonamide
TL;DR: N-benzyl-4-methyl-3-nitrobenzenesulfonamide (CAS 331255-99-3) 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-4-methyl-3-nitrobenzenesulfonamide
Also Known As: N-benzyl-4-methyl-3-nitrobenzenesulfonamide, BAS 00356486, [(4-methyl-3-nitrophenyl)sulfonyl]benzylamine, N-Benzyl-4-methyl-3-nitro-benzenesulfonamide, N-BENZYL-4-METHYL-3-NITRO-1-BENZENESULFONAMIDE
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 2.38172 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 757.7984 |
Chemical Identifiers
| CAS Number | 331255-99-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
N-benzyl-4-methyl-3-nitrobenzenesulfonamide (CAS 331255-99-3), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: N-benzyl-4-methyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of N-benzyl-4-methyl-3-nitrobenzenesulfonamide
Property Insights of N-benzyl-4-methyl-3-nitrobenzenesulfonamide
The XLogP value of 2.38172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-4-methyl-3-nitrobenzenesulfonamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-4-methyl-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-benzyl-4-methyl-3-nitrobenzenesulfonamide has 1 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-4-methyl-3-nitrobenzenesulfonamide?
The CAS number of N-benzyl-4-methyl-3-nitrobenzenesulfonamide is 331255-99-3.
What is the molecular formula of N-benzyl-4-methyl-3-nitrobenzenesulfonamide?
The molecular formula of N-benzyl-4-methyl-3-nitrobenzenesulfonamide is C14H14N2O4S.
What is the molecular weight of N-benzyl-4-methyl-3-nitrobenzenesulfonamide?
The molecular weight of N-benzyl-4-methyl-3-nitrobenzenesulfonamide is 306.07 g/mol.
Where can I buy N-benzyl-4-methyl-3-nitrobenzenesulfonamide?
You can request a quote for N-benzyl-4-methyl-3-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-4-methyl-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-methyl-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.