4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide
TL;DR: 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide (CAS 747412-35-7) is a chemical compound with molecular formula C10H13ClN2O5S and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(1-methoxypropan-2-yl)-3-nitrobenzenesulfonamide
Also Known As: 4-chloro-N-(1-methoxypropan-2-yl)-3-nitrobenzene-1-sulfonamide, 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide, 4-chloro-N-(1-methoxypropan-2-yl)-3-nitrobenzenesulfonamide, C10H13ClN2O5S
| Molecular Formula | C10H13ClN2O5S |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 1.5614 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.02338 |
| Heavy Atoms | 19 |
| Complexity | 575.2828 |
Chemical Identifiers
| CAS Number | 747412-35-7 |
|---|---|
| SMILES | CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide (CAS 747412-35-7), with molecular formula C10H13ClN2O5S and molecular weight 308.02 g/mol. IUPAC: 4-chloro-N-(1-methoxypropan-2-yl)-3-nitrobenzenesulfonamide.
Chemical Property Profile of 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide
Property Insights of 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide
The XLogP value of 1.5614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, 4-chloro-N-(2-methoxy-1-methylethyl)-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-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide?
The CAS number of 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide is 747412-35-7.
What is the molecular formula of 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide?
The molecular formula of 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide is C10H13ClN2O5S.
What is the molecular weight of 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide?
The molecular weight of 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide is 308.02 g/mol.
Where can I buy 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide?
You can request a quote for 4-chloro-N-(2-methoxy-1-methylethyl)-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-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(2-methoxy-1-methylethyl)-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.