4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide
TL;DR: 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide (CAS 96-59-3) is a chemical compound with molecular formula C9H11ClN2O4S and molecular weight 278.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-nitro-N-propan-2-ylbenzenesulfonamide
Also Known As: 4-chloro-n-isopropyl-3-nitrobenzenesulfonamide, 4-Chloro-N-isopropyl-3-nitrobenzenesulphonamide, Benzenesulfonamide, 4-chloro-N-(1-methylethyl)-3-nitro-, 4-chloro-3-nitro-N-propan-2-ylbenzenesulfonamide, Benzenesulfonamide, 4-chloro-N-isopropyl-3-nitro-
| Molecular Formula | C9H11ClN2O4S |
|---|---|
| Molecular Weight | 278.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.01282 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 96-59-3 |
|---|---|
| SMILES | CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | KFKCKBPFUJOIQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide (CAS 96-59-3), with molecular formula C9H11ClN2O4S and molecular weight 278.01 g/mol. IUPAC: 4-chloro-3-nitro-N-propan-2-ylbenzenesulfonamide.
Chemical Property Profile of 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide
Property Insights of 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide 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 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide?
The CAS number of 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide is 96-59-3.
What is the molecular formula of 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide?
The molecular formula of 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide is C9H11ClN2O4S.
What is the molecular weight of 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide?
The molecular weight of 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide is 278.01 g/mol.
Where can I buy 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide?
You can request a quote for 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.