N-Butyl-4-chloro-3-nitrobenzenesulphonamide
TL;DR: N-Butyl-4-chloro-3-nitrobenzenesulphonamide (CAS 96-61-7) is a chemical compound with molecular formula C10H13ClN2O4S and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-4-chloro-3-nitrobenzenesulfonamide
Also Known As: N-Butyl-4-chloro-3-nitrobenzenesulphonamide, N-butyl-4-chloro-3-nitrobenzenesulfonamide, Benzenesulfonamide, N-butyl-4-chloro-3-nitro-, N-Butyl-4-chloro-3-nitro-benzenesulfonamide, N-butyl-4-chloro-3-nitrobenzene-1-sulfonamide
| Molecular Formula | C10H13ClN2O4S |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.02844 |
| Heavy Atoms | 18 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 96-61-7 |
|---|---|
| SMILES | CCCCNS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | LODDEMCQPHNFSJ-UHFFFAOYSA-N |
Product Overview
N-Butyl-4-chloro-3-nitrobenzenesulphonamide (CAS 96-61-7), with molecular formula C10H13ClN2O4S and molecular weight 292.03 g/mol. IUPAC: N-butyl-4-chloro-3-nitrobenzenesulfonamide.
Chemical Property Profile of N-Butyl-4-chloro-3-nitrobenzenesulphonamide
Property Insights of N-Butyl-4-chloro-3-nitrobenzenesulphonamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-4-chloro-3-nitrobenzenesulphonamide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Butyl-4-chloro-3-nitrobenzenesulphonamide. Following Lipinski's Rule of Five, N-Butyl-4-chloro-3-nitrobenzenesulphonamide has 1 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-Butyl-4-chloro-3-nitrobenzenesulphonamide?
The CAS number of N-Butyl-4-chloro-3-nitrobenzenesulphonamide is 96-61-7.
What is the molecular formula of N-Butyl-4-chloro-3-nitrobenzenesulphonamide?
The molecular formula of N-Butyl-4-chloro-3-nitrobenzenesulphonamide is C10H13ClN2O4S.
What is the molecular weight of N-Butyl-4-chloro-3-nitrobenzenesulphonamide?
The molecular weight of N-Butyl-4-chloro-3-nitrobenzenesulphonamide is 292.03 g/mol.
Where can I buy N-Butyl-4-chloro-3-nitrobenzenesulphonamide?
You can request a quote for N-Butyl-4-chloro-3-nitrobenzenesulphonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-4-chloro-3-nitrobenzenesulphonamide?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-4-chloro-3-nitrobenzenesulphonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.