4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide
TL;DR: 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide (CAS 885396-45-2) is a chemical compound with molecular formula C13H16ClNO2S and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide
Also Known As: 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide, (1,1-diethylprop-2-ynyl)[(4-chlorophenyl)sulfonyl]amine, 4-CHLORO-N-(3-ETHYLPENT-1-YN-3-YL)BENZENE-1-SULFONAMIDE
| Molecular Formula | C13H16ClNO2S |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.8103 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.05902 |
| Heavy Atoms | 18 |
| Complexity | 539.3491 |
Chemical Identifiers
| CAS Number | 885396-45-2 |
|---|---|
| SMILES | CCC(CC)(C#C)NS(=O)(=O)C1=CC=C(C=C1)Cl |
Product Overview
4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide (CAS 885396-45-2), with molecular formula C13H16ClNO2S and molecular weight 285.06 g/mol. IUPAC: 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide.
Chemical Property Profile of 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide
Property Insights of 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide
The XLogP value of 2.8103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide. With a topological polar surface area (TPSA) of 46.17 Ų, 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide has 1 hydrogen bond donor(s) and 2 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-(3-ethylpent-1-yn-3-yl)benzenesulfonamide?
The CAS number of 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide is 885396-45-2.
What is the molecular formula of 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide?
The molecular formula of 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide is C13H16ClNO2S.
What is the molecular weight of 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide?
The molecular weight of 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide is 285.06 g/mol.
Where can I buy 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide?
You can request a quote for 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide 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-(3-ethylpent-1-yn-3-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.