N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
TL;DR: N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide (CAS 453576-49-3) is a chemical compound with molecular formula C18H18ClNO3S and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
Also Known As: N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide, N-benzyl-3-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
| Molecular Formula | C18H18ClNO3S |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 3.1695 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.06958 |
| Heavy Atoms | 24 |
| Complexity | 836.3522 |
Chemical Identifiers
| CAS Number | 453576-49-3 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Cl |
Product Overview
N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide (CAS 453576-49-3), with molecular formula C18H18ClNO3S and molecular weight 363.07 g/mol. IUPAC: N-benzyl-3-chloro-N-(1,1-dioxothiolan-3-yl)benzamide.
Chemical Property Profile of N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
Property Insights of N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
The XLogP value of 3.1695 indicates that N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide has 0 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 N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The CAS number of N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is 453576-49-3.
What is the molecular formula of N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The molecular formula of N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is C18H18ClNO3S.
What is the molecular weight of N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The molecular weight of N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is 363.07 g/mol.
Where can I buy N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
You can request a quote for N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.