N-Isopropyl 3-nitrobenzenesulfonamide
TL;DR: N-Isopropyl 3-nitrobenzenesulfonamide (CAS 28860-10-8) is a chemical compound with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-propan-2-ylbenzenesulfonamide
Also Known As: N-ISOPROPYL 3-NITROBENZENESULFONAMIDE, n-isopropyl-3-nitrobenzenesulfonamide, 3-nitro-N-propan-2-ylbenzenesulfonamide, Benzenesulfonamide, N-(1-methylethyl)-3-nitro-, N-Isopropyl-3-nitro-benzenesulfonamide
| Molecular Formula | C9H12N2O4S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.05177 |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 28860-10-8 |
|---|---|
| SMILES | CC(C)NS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | YMQDOINNAIAMAP-UHFFFAOYSA-N |
Product Overview
N-Isopropyl 3-nitrobenzenesulfonamide (CAS 28860-10-8), with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol. IUPAC: 3-nitro-N-propan-2-ylbenzenesulfonamide.
Chemical Property Profile of N-Isopropyl 3-nitrobenzenesulfonamide
Property Insights of N-Isopropyl 3-nitrobenzenesulfonamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isopropyl 3-nitrobenzenesulfonamide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Isopropyl 3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, 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 N-Isopropyl 3-nitrobenzenesulfonamide?
The CAS number of N-Isopropyl 3-nitrobenzenesulfonamide is 28860-10-8.
What is the molecular formula of N-Isopropyl 3-nitrobenzenesulfonamide?
The molecular formula of N-Isopropyl 3-nitrobenzenesulfonamide is C9H12N2O4S.
What is the molecular weight of N-Isopropyl 3-nitrobenzenesulfonamide?
The molecular weight of N-Isopropyl 3-nitrobenzenesulfonamide is 244.05 g/mol.
Where can I buy N-Isopropyl 3-nitrobenzenesulfonamide?
You can request a quote for 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 N-Isopropyl 3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropyl 3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.