![N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide structure](/static/products/4450/445021-95-4.webp)
N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
TL;DR: N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 445021-95-4) is a chemical compound with molecular formula C20H24N6O5S and molecular weight 460.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Also Known As: N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide, 3-{3-nitro-1H-1,2,4-triazol-1-yl}-N-{4-[(methylamino)sulfonyl]phenyl}-1-adamantanecarboxamide, N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N~1~-{4-[(METHYLAMINO)SULFONYL]PHENYL}-3-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C20H24N6O5S |
|---|---|
| Molecular Weight | 460.15 g/mol |
| LogP | 2.0286 |
| Topological Polar Surface Area | 149.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.1529 |
| Heavy Atoms | 32 |
| Complexity | 1177.3175 |
Chemical Identifiers
| CAS Number | 445021-95-4 |
|---|---|
| SMILES | CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-] |
Product Overview
N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 445021-95-4), with molecular formula C20H24N6O5S and molecular weight 460.15 g/mol. IUPAC: N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide.
Chemical Property Profile of N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Property Insights of N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide
The XLogP value of 2.0286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide. The TPSA of 149.12 Ų indicates high polarity, suggesting N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide has 2 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-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The CAS number of N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is 445021-95-4.
What is the molecular formula of N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular formula of N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is C20H24N6O5S.
What is the molecular weight of N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular weight of N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide is 460.15 g/mol.
Where can I buy N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
You can request a quote for N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(methylsulfamoyl)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.