N-Butyl 3-nitrobenzenesulfonamide
TL;DR: N-Butyl 3-nitrobenzenesulfonamide (CAS 89840-72-2) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-3-nitrobenzenesulfonamide
Also Known As: N-butyl-3-nitrobenzenesulfonamide, N-BUTYL 3-NITROBENZENESULFONAMIDE, 2-Phenyl-1,3-oxazole, AURORA 22165, N-butyl-3-nitrobenzene-1-sulfonamide
| Molecular Formula | C10H14N2O4S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 1.6732 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.0674 |
| Heavy Atoms | 17 |
| Complexity | 498.7823 |
Chemical Identifiers
| CAS Number | 89840-72-2 |
|---|---|
| SMILES | CCCCNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-] |
Product Overview
N-Butyl 3-nitrobenzenesulfonamide (CAS 89840-72-2), with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol. IUPAC: N-butyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of N-Butyl 3-nitrobenzenesulfonamide
Property Insights of N-Butyl 3-nitrobenzenesulfonamide
The XLogP value of 1.6732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl 3-nitrobenzenesulfonamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Butyl 3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-Butyl 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-Butyl 3-nitrobenzenesulfonamide?
The CAS number of N-Butyl 3-nitrobenzenesulfonamide is 89840-72-2.
What is the molecular formula of N-Butyl 3-nitrobenzenesulfonamide?
The molecular formula of N-Butyl 3-nitrobenzenesulfonamide is C10H14N2O4S.
What is the molecular weight of N-Butyl 3-nitrobenzenesulfonamide?
The molecular weight of N-Butyl 3-nitrobenzenesulfonamide is 258.07 g/mol.
Where can I buy N-Butyl 3-nitrobenzenesulfonamide?
You can request a quote for N-Butyl 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-Butyl 3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl 3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.