N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide
TL;DR: N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide (CAS 345992-55-4) is a chemical compound with molecular formula C15H14N2O6S and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide
Also Known As: UPCMLD0ENAT5948035:001, N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide, F0280-0023, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide, A2477/0105240
| Molecular Formula | C15H14N2O6S |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.05725 |
| Heavy Atoms | 24 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 345992-55-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 |
| InChIKey | KLBRWFJFRLHQNM-UHFFFAOYSA-N |
Product Overview
N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide (CAS 345992-55-4), with molecular formula C15H14N2O6S and molecular weight 350.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide.
Chemical Property Profile of N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide
Property Insights of N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide has 1 hydrogen bond donor(s) and 7 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)-2-methyl-5-nitrobenzenesulfonamide?
The CAS number of N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide is 345992-55-4.
What is the molecular formula of N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide?
The molecular formula of N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide is C15H14N2O6S.
What is the molecular weight of N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide?
The molecular weight of N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide is 350.06 g/mol.
Where can I buy N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide?
You can request a quote for N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide 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)-2-methyl-5-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzodioxol-5-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.