4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide
TL;DR: 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide (CAS 109097-77-0) is a chemical compound with molecular formula C12H17N3O2S and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
Also Known As: 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide, IFLab1_003641, 4-amino-N-[(2E)-azepan-2-ylidene]benzenesulfonamide, IDI1_009748, 4-Amino-N-(4,5,6,7-tetrahydro-3H-azepin-2-yl)-benzenesulfonamide
| Molecular Formula | C12H17N3O2S |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 1.5196 |
| Topological Polar Surface Area | 84.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.10416 |
| Heavy Atoms | 18 |
| Complexity | 534.94586 |
Chemical Identifiers
| CAS Number | 109097-77-0 |
|---|---|
| SMILES | C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)N |
Product Overview
4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide (CAS 109097-77-0), with molecular formula C12H17N3O2S and molecular weight 267.10 g/mol. IUPAC: 4-amino-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide.
Chemical Property Profile of 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide
Property Insights of 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide
The XLogP value of 1.5196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide. The TPSA of 84.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide. Following Lipinski's Rule of Five, 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide has 2 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-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide?
The CAS number of 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide is 109097-77-0.
What is the molecular formula of 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide?
The molecular formula of 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide is C12H17N3O2S.
What is the molecular weight of 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide?
The molecular weight of 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide is 267.10 g/mol.
Where can I buy 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide?
You can request a quote for 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-N-(azepan-2-ylidene)benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.