5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide
TL;DR: 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide (CAS 1255666-28-4) is a chemical compound with molecular formula C21H25ClN2O3S and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(azepane-1-carbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide
Also Known As: 1-tert-butyl 2-methyl 4,4-difluoropiperidine-1,2-d, 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide, 5-(azepane-1-carbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide, 5-(1-azepanylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide
| Molecular Formula | C21H25ClN2O3S |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 4.77384 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.12744 |
| Heavy Atoms | 28 |
| Complexity | 981.1404 |
Chemical Identifiers
| CAS Number | 1255666-28-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCCCC3)Cl)C |
Product Overview
5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide (CAS 1255666-28-4), with molecular formula C21H25ClN2O3S and molecular weight 420.13 g/mol. IUPAC: 5-(azepane-1-carbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide.
Chemical Property Profile of 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide
Property Insights of 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide
The XLogP value of 4.77384 indicates that 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide. Following Lipinski's Rule of Five, 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 3 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 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide?
The CAS number of 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide is 1255666-28-4.
What is the molecular formula of 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide?
The molecular formula of 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide is C21H25ClN2O3S.
What is the molecular weight of 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide?
The molecular weight of 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide is 420.13 g/mol.
Where can I buy 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide?
You can request a quote for 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(azepan-1-ylcarbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.