![N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide structure](/static/products/374/374104-54-8.png)
N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide
TL;DR: N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide (CAS 374104-54-8) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonylurea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonylurea, N-((benzo[d][1,3]dioxol-5-ylmethyl)carbamoyl)-4-methylbenzenesulfonamide, N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide, [(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)amino]-N-[(4-methylphenyl)sulfonyl]ca rboxamide
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.078 |
| Heavy Atoms | 24 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 374104-54-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=CC3=C(C=C2)OCO3 |
| InChIKey | AOHPCYBJCBKEAX-UHFFFAOYSA-N |
Product Overview
N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide (CAS 374104-54-8), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonylurea.
Chemical Property Profile of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide
Property Insights of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide. Following Lipinski's Rule of Five, N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide has 2 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-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide?
The CAS number of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide is 374104-54-8.
What is the molecular formula of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide?
The molecular formula of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide is C16H16N2O5S.
What is the molecular weight of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide?
The molecular weight of N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide is 348.08 g/mol.
Where can I buy N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide?
You can request a quote for N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-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-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.