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N-[2-(4-nitroanilino)ethyl]methanesulfonamide
TL;DR: N-[2-(4-nitroanilino)ethyl]methanesulfonamide (CAS 416875-49-5) is a chemical compound with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-nitroanilino)ethyl]methanesulfonamide
Also Known As: BAS 00434940, BIM-0020822.P001, N-[2-(4-nitroanilino)ethyl]methanesulfonamide, N-{2-[(4-nitrophenyl)amino]ethyl}methanesulfonamide, N-[2-(4-nitrophenylamino)ethyl]methanesulfonamide
| Molecular Formula | C9H13N3O4S |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 0.5559 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.06268 |
| Heavy Atoms | 17 |
| Complexity | 483.46735 |
Chemical Identifiers
| CAS Number | 416875-49-5 |
|---|---|
| SMILES | CS(=O)(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
N-[2-(4-nitroanilino)ethyl]methanesulfonamide (CAS 416875-49-5), with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol. IUPAC: N-[2-(4-nitroanilino)ethyl]methanesulfonamide.
Chemical Property Profile of N-[2-(4-nitroanilino)ethyl]methanesulfonamide
Property Insights of N-[2-(4-nitroanilino)ethyl]methanesulfonamide
The XLogP value of 0.5559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(4-nitroanilino)ethyl]methanesulfonamide. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(4-nitroanilino)ethyl]methanesulfonamide. Following Lipinski's Rule of Five, N-[2-(4-nitroanilino)ethyl]methanesulfonamide 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-[2-(4-nitroanilino)ethyl]methanesulfonamide?
The CAS number of N-[2-(4-nitroanilino)ethyl]methanesulfonamide is 416875-49-5.
What is the molecular formula of N-[2-(4-nitroanilino)ethyl]methanesulfonamide?
The molecular formula of N-[2-(4-nitroanilino)ethyl]methanesulfonamide is C9H13N3O4S.
What is the molecular weight of N-[2-(4-nitroanilino)ethyl]methanesulfonamide?
The molecular weight of N-[2-(4-nitroanilino)ethyl]methanesulfonamide is 259.06 g/mol.
Where can I buy N-[2-(4-nitroanilino)ethyl]methanesulfonamide?
You can request a quote for N-[2-(4-nitroanilino)ethyl]methanesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(4-nitroanilino)ethyl]methanesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-nitroanilino)ethyl]methanesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.