![N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide structure](/static/products/3464/346459-38-9.webp)
N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide
TL;DR: N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide (CAS 346459-38-9) is a chemical compound with molecular formula C12H16F3N3O4S and molecular weight 355.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide
Also Known As: MixCom6_002407, BAS 01567976, BIM-0047513.P001, N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide, (methylsulfonyl)(4-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butyl)amine
| Molecular Formula | C12H16F3N3O4S |
|---|---|
| Molecular Weight | 355.08 g/mol |
| LogP | 2.3549 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 355.08136 |
| Heavy Atoms | 23 |
| Complexity | 662.005 |
Chemical Identifiers
| CAS Number | 346459-38-9 |
|---|---|
| SMILES | CS(=O)(=O)NCCCCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
Product Overview
N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide (CAS 346459-38-9), with molecular formula C12H16F3N3O4S and molecular weight 355.08 g/mol. IUPAC: N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide.
Chemical Property Profile of N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide
Property Insights of N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide
The XLogP value of 2.3549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide. Following Lipinski's Rule of Five, N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]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-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide?
The CAS number of N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide is 346459-38-9.
What is the molecular formula of N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide?
The molecular formula of N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide is C12H16F3N3O4S.
What is the molecular weight of N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide?
The molecular weight of N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide is 355.08 g/mol.
Where can I buy N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide?
You can request a quote for N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.