N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide (CAS 440656-52-0) is a chemical compound with molecular formula C16H15NO5S and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)propanamide
Also Known As: BAS 12772365, N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide, 3-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)propanamide, 3-(BENZENESULFONYL)-N-(2H-1,3-BENZODIOXOL-5-YL)PROPANAMIDE, N-(benzo[d][1,3]dioxol-5-yl)-3-(phenylsulfonyl)propanamide
| Molecular Formula | C16H15NO5S |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 2.2178 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0671 |
| Heavy Atoms | 23 |
| Complexity | 817.61914 |
Chemical Identifiers
| CAS Number | 440656-52-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 |
Product Overview
N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide (CAS 440656-52-0), with molecular formula C16H15NO5S and molecular weight 333.07 g/mol. IUPAC: 3-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)propanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide
The XLogP value of 2.2178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide 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-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide is 440656-52-0.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide is C16H15NO5S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide is 333.07 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3-(phenylsulfonyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.