N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide
TL;DR: N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide (CAS 37009-33-9) is a chemical compound with molecular formula C11H14ClNO3S and molecular weight 275.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-oxobutyl)-4-methylbenzenesulfonamide
Also Known As: p-Toluenesulfonamide,N- -, N-Tosyl-beta-alanine chloromethyl ketone, N-(4-Chloro-3-oxobutyl)-p-toluenesulfonamide, n-(4-chloro-3-oxobutyl)-4-methylbenzenesulfonamide, p-Toluenesulfonamide, N-(4-chloro-3-oxobutyl)-
| Molecular Formula | C11H14ClNO3S |
|---|---|
| Molecular Weight | 275.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.0383 |
| Heavy Atoms | 17 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 37009-33-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)CCl |
| InChIKey | IUZSKKTYNNKUIF-UHFFFAOYSA-N |
Product Overview
N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide (CAS 37009-33-9), with molecular formula C11H14ClNO3S and molecular weight 275.04 g/mol. IUPAC: N-(4-chloro-3-oxobutyl)-4-methylbenzenesulfonamide.
Chemical Property Profile of N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide
Property Insights of N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide. Following Lipinski's Rule of Five, N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide has 1 hydrogen bond donor(s) and 4 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-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide?
The CAS number of N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide is 37009-33-9.
What is the molecular formula of N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide?
The molecular formula of N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide is C11H14ClNO3S.
What is the molecular weight of N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide?
The molecular weight of N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide is 275.04 g/mol.
Where can I buy N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide?
You can request a quote for N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-3-oxobutyl)-4-methylbenzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.