4-(Azepan-1-ylsulfonyl)benzenesulfonamide
TL;DR: 4-(Azepan-1-ylsulfonyl)benzenesulfonamide (CAS 55619-39-1) is a chemical compound with molecular formula C12H18N2O4S2 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-ylsulfonyl)benzenesulfonamide
Also Known As: 4-(azepan-1-ylsulfonyl)benzenesulfonamide, 4-(azepane-1-sulfonyl)benzene-1-sulfonamide, ASN 04361451, 4-(Azepane-1-sulfonyl)-benzenesulfonamide, Benzenesulfonamide, 4-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
| Molecular Formula | C12H18N2O4S2 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 0.8987 |
| Topological Polar Surface Area | 97.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0708 |
| Heavy Atoms | 20 |
| Complexity | 657.9138 |
Chemical Identifiers
| CAS Number | 55619-39-1 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
4-(Azepan-1-ylsulfonyl)benzenesulfonamide (CAS 55619-39-1), with molecular formula C12H18N2O4S2 and molecular weight 318.07 g/mol. IUPAC: 4-(azepan-1-ylsulfonyl)benzenesulfonamide.
Chemical Property Profile of 4-(Azepan-1-ylsulfonyl)benzenesulfonamide
Property Insights of 4-(Azepan-1-ylsulfonyl)benzenesulfonamide
The XLogP value of 0.8987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Azepan-1-ylsulfonyl)benzenesulfonamide. The TPSA of 97.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Azepan-1-ylsulfonyl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-(Azepan-1-ylsulfonyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 4 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-(Azepan-1-ylsulfonyl)benzenesulfonamide?
The CAS number of 4-(Azepan-1-ylsulfonyl)benzenesulfonamide is 55619-39-1.
What is the molecular formula of 4-(Azepan-1-ylsulfonyl)benzenesulfonamide?
The molecular formula of 4-(Azepan-1-ylsulfonyl)benzenesulfonamide is C12H18N2O4S2.
What is the molecular weight of 4-(Azepan-1-ylsulfonyl)benzenesulfonamide?
The molecular weight of 4-(Azepan-1-ylsulfonyl)benzenesulfonamide is 318.07 g/mol.
Where can I buy 4-(Azepan-1-ylsulfonyl)benzenesulfonamide?
You can request a quote for 4-(Azepan-1-ylsulfonyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Azepan-1-ylsulfonyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-ylsulfonyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.