![N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide structure](/static/products/831/831187-12-3.png)
N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide
TL;DR: N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide (CAS 831187-12-3) is a chemical compound with molecular formula C14H17N3O2S2 and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide
Also Known As: N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide, N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide, N-(2-methyl-1-(pyrimidin-2-ylthio)propan-2-yl)benzenesulfonamide, N-[2-METHYL-1-(PYRIMIDIN-2-YLSULFANYL)PROPAN-2-YL]BENZENESULFONAMIDE, N-[1,1-dimethyl-2-(2-pyrimidylthio)ethyl]benzenesulfonamide
| Molecular Formula | C14H17N3O2S2 |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 2.3258 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.07623 |
| Heavy Atoms | 21 |
| Complexity | 673.88 |
Chemical Identifiers
| CAS Number | 831187-12-3 |
|---|---|
| SMILES | CC(C)(CSC1=NC=CC=N1)NS(=O)(=O)C2=CC=CC=C2 |
Product Overview
N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide (CAS 831187-12-3), with molecular formula C14H17N3O2S2 and molecular weight 323.08 g/mol. IUPAC: N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide.
Chemical Property Profile of N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide
Property Insights of N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide
The XLogP value of 2.3258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide. Following Lipinski's Rule of Five, N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide 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 N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide?
The CAS number of N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide is 831187-12-3.
What is the molecular formula of N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide?
The molecular formula of N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide is C14H17N3O2S2.
What is the molecular weight of N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide?
The molecular weight of N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide is 323.08 g/mol.
Where can I buy N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide?
You can request a quote for N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1,1-dimethyl-2-(2-pyrimidinylthio)ethyl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.