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N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide
TL;DR: N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide (CAS 28522-80-7) is a chemical compound with molecular formula C12H13ClN2O4S and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide
Also Known As: N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide, 1-[(p-chlorophenyl)sulfonyl]-3-(3-methylcrotonoyl)-urea, N-[(4-Chlorobenzene-1-sulfonyl)carbamoyl]-3-methylbut-2-enamide
| Molecular Formula | C12H13ClN2O4S |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.02844 |
| Heavy Atoms | 20 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 28522-80-7 |
|---|---|
| SMILES | CC(=CC(=O)NC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl)C |
| InChIKey | PEBWDZKOBQFEGF-UHFFFAOYSA-N |
Product Overview
N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide (CAS 28522-80-7), with molecular formula C12H13ClN2O4S and molecular weight 316.03 g/mol. IUPAC: N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide.
Chemical Property Profile of N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide
Property Insights of N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide has 2 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-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide?
The CAS number of N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide is 28522-80-7.
What is the molecular formula of N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide?
The molecular formula of N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide is C12H13ClN2O4S.
What is the molecular weight of N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide?
The molecular weight of N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide is 316.03 g/mol.
Where can I buy N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide?
You can request a quote for N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylbut-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.