![N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide structure](/static/products/3391/339113-29-0.webp)
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide
TL;DR: N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide (CAS 339113-29-0) is a chemical compound with molecular formula C15H13ClFNOS and molecular weight 309.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluorobenzamide
Also Known As: 9J-544S, N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluorobenzamide, N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide, N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzamide, N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-benzamide
| Molecular Formula | C15H13ClFNOS |
|---|---|
| Molecular Weight | 309.04 g/mol |
| LogP | 4.0012 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.03903 |
| Heavy Atoms | 20 |
| Complexity | 588.6823 |
Chemical Identifiers
| CAS Number | 339113-29-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(=O)NCCSC2=CC=C(C=C2)Cl |
Product Overview
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide (CAS 339113-29-0), with molecular formula C15H13ClFNOS and molecular weight 309.04 g/mol. IUPAC: N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluorobenzamide.
Chemical Property Profile of N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide
Property Insights of N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide
The XLogP value of 4.0012 indicates that N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide 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 N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide?
The CAS number of N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide is 339113-29-0.
What is the molecular formula of N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide?
The molecular formula of N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide is C15H13ClFNOS.
What is the molecular weight of N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide?
The molecular weight of N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide is 309.04 g/mol.
Where can I buy N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide?
You can request a quote for N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-fluorobenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.