4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
TL;DR: 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide (CAS 5352-00-1) is a chemical compound with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
Also Known As: 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide, BIM-0018839.P001, 4-methyl-3-nitro-N-(2-pyridinylmethyl)benzenesulfonamide, [(4-methyl-3-nitrophenyl)sulfonyl](2-pyridylmethyl)amine, benzenesulfonamide,4-methyl-3-nitro-N-(2-pyridinylmethyl)-
| Molecular Formula | C13H13N3O4S |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 1.77672 |
| Topological Polar Surface Area | 102.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.06268 |
| Heavy Atoms | 21 |
| Complexity | 760.2408 |
Chemical Identifiers
| CAS Number | 5352-00-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2)[N+](=O)[O-] |
Product Overview
4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide (CAS 5352-00-1), with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol. IUPAC: 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide.
Chemical Property Profile of 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
Property Insights of 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
The XLogP value of 1.77672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide. The TPSA of 102.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide 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 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The CAS number of 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide is 5352-00-1.
What is the molecular formula of 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The molecular formula of 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide is C13H13N3O4S.
What is the molecular weight of 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The molecular weight of 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide is 307.06 g/mol.
Where can I buy 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
You can request a quote for 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.