3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide
TL;DR: 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide (CAS 827620-19-9) is a chemical compound with molecular formula C16H15ClN2O5S and molecular weight 382.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide
Also Known As: 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide, 3-(benzylsulfonyl)-N-(2-chloro-4-nitrophenyl)propanamide, N-(2-chloro-4-nitrophenyl)-3-[benzylsulfonyl]propanamide
| Molecular Formula | C16H15ClN2O5S |
|---|---|
| Molecular Weight | 382.04 g/mol |
| LogP | 3.1918 |
| Topological Polar Surface Area | 106.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.03903 |
| Heavy Atoms | 25 |
| Complexity | 884.653 |
Chemical Identifiers
| CAS Number | 827620-19-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide (CAS 827620-19-9), with molecular formula C16H15ClN2O5S and molecular weight 382.04 g/mol. IUPAC: 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide.
Chemical Property Profile of 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide
Property Insights of 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide
The XLogP value of 3.1918 indicates that 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide. Following Lipinski's Rule of Five, 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide has 1 hydrogen bond donor(s) and 5 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 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide?
The CAS number of 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide is 827620-19-9.
What is the molecular formula of 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide?
The molecular formula of 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide is C16H15ClN2O5S.
What is the molecular weight of 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide?
The molecular weight of 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide is 382.04 g/mol.
Where can I buy 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide?
You can request a quote for 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-benzylsulfonyl-N-(2-chloro-4-nitrophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.