N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide
TL;DR: N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide (CAS 477867-72-4) is a chemical compound with molecular formula C12H13Cl2NO3S and molecular weight 321.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloro-4-ethylsulfonyl-N-prop-2-enylbenzamide
Also Known As: N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide, 2,3-dichloro-4-ethylsulfonyl-N-prop-2-enylbenzamide, 2,3-dichloro-4-(ethanesulfonyl)-N-(prop-2-en-1-yl)benzamide
| Molecular Formula | C12H13Cl2NO3S |
|---|---|
| Molecular Weight | 321.00 g/mol |
| LogP | 2.7028 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.99933 |
| Heavy Atoms | 19 |
| Complexity | 611.6457 |
Chemical Identifiers
| CAS Number | 477867-72-4 |
|---|---|
| SMILES | CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)NCC=C)Cl)Cl |
Product Overview
N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide (CAS 477867-72-4), with molecular formula C12H13Cl2NO3S and molecular weight 321.00 g/mol. IUPAC: 2,3-dichloro-4-ethylsulfonyl-N-prop-2-enylbenzamide.
Chemical Property Profile of N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide
Property Insights of N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide
The XLogP value of 2.7028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide. Following Lipinski's Rule of Five, N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide 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-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide?
The CAS number of N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide is 477867-72-4.
What is the molecular formula of N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide?
The molecular formula of N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide is C12H13Cl2NO3S.
What is the molecular weight of N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide?
The molecular weight of N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide is 321.00 g/mol.
Where can I buy N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide?
You can request a quote for N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2,3-dichloro-4-(ethylsulfonyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.