5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide
TL;DR: 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide (CAS 380320-85-4) is a chemical compound with molecular formula C16H18FN3O3S and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(4-fluorophenyl)urea
Also Known As: 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide, 5-[3-(4-Fluorophenyl)ureido]-N,N,2-trimethylbenzenesulfonamide, 5-({[(4-fluorophenyl)amino]carbonyl}amino)-N,N,2-trimethylbenzenesulfonamide, 1-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(4-fluorophenyl)urea
| Molecular Formula | C16H18FN3O3S |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 3.02842 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.1053 |
| Heavy Atoms | 24 |
| Complexity | 849.3714 |
Chemical Identifiers
| CAS Number | 380320-85-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)N(C)C |
Product Overview
5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide (CAS 380320-85-4), with molecular formula C16H18FN3O3S and molecular weight 351.11 g/mol. IUPAC: 1-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(4-fluorophenyl)urea.
Chemical Property Profile of 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide
Property Insights of 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide
The XLogP value of 3.02842 indicates that 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide. Following Lipinski's Rule of Five, 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide has 2 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 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide?
The CAS number of 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide is 380320-85-4.
What is the molecular formula of 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide?
The molecular formula of 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide is C16H18FN3O3S.
What is the molecular weight of 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide?
The molecular weight of 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide is 351.11 g/mol.
Where can I buy 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide?
You can request a quote for 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-(4-Fluorophenyl)ureido)-N,N,2-trimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.