5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

C16H12F2N6O3S — CID 54178316

About 5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 54178316) has the molecular formula C16H12F2N6O3S and a molecular weight of 406.37 g/mol. Its IUPAC name is 5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

• Compound Name: 5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
• PubChem CID: 54178316
• Molecular Formula: C16H12F2N6O3S
• Molecular Weight: 406.37 g/mol
• Exact Mass: 406.07
• IUPAC Name: 5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
• SMILES: CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(F)ccc4cccnc34)nn12
• InChI: InChI=1S/C16H12F2N6O3S/c1-2-27-16-20-11(18)8-12-21-15(22-24(12)16)28(25,26)23-14-10(17)6-5-9-4-3-7-19-13(9)14/h3-8,23H,2H2,1H3
• InChIKey: OZZQRUKBCPGMTP-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 111.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.37
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?

The IUPAC name of 5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 54178316) is 5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

What is the SMILES notation for 5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?

The canonical SMILES for 5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(F)ccc4cccnc34)nn12.

What is the InChIKey of 5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?

The InChIKey is OZZQRUKBCPGMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N6O3S/c1-2-27-16-20-11(18)8-12-21-15(22-24(12)16)28(25,26)23-14-10(17)6-5-9-4-3-7-19-13(9)14/h3-8,23H,2H2,1H3.

What are the key properties of 5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?

5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 406.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 54178316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).