N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide
TL;DR: N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide (CAS 2849-74-3) is a chemical compound with molecular formula C11H16ClNO2S and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-chloro-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
Also Known As: N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide, BAS 00793810, N-(1-chloro-2-methylpropan-2-yl)-4-methylbenzenesulfonamide, (2-chloro-tert-butyl)[(4-methylphenyl)sulfonyl]amine, N-(2-Chloro-1,1-dimethyl-ethyl)-4-methyl-benzenesulfonamide
| Molecular Formula | C11H16ClNO2S |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.05902 |
| Heavy Atoms | 16 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 2849-74-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CCl |
| InChIKey | SIERZQZFOUPITI-UHFFFAOYSA-N |
Product Overview
N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide (CAS 2849-74-3), with molecular formula C11H16ClNO2S and molecular weight 261.06 g/mol. IUPAC: N-(1-chloro-2-methylpropan-2-yl)-4-methylbenzenesulfonamide.
Chemical Property Profile of N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide
Property Insights of N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide. With a topological polar surface area (TPSA) of 54.6 Ų, N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide has 1 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-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide?
The CAS number of N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide is 2849-74-3.
What is the molecular formula of N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide?
The molecular formula of N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide is C11H16ClNO2S.
What is the molecular weight of N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide?
The molecular weight of N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide is 261.06 g/mol.
Where can I buy N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide?
You can request a quote for N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-1,1-dimethylethyl)-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.