N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

C13H10ClF2N5O3S — CID 18983801

About N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 18983801) has the molecular formula C13H10ClF2N5O3S and a molecular weight of 389.77 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
• PubChem CID: 18983801
• Molecular Formula: C13H10ClF2N5O3S
• Molecular Weight: 389.77 g/mol
• Exact Mass: 389.02
• IUPAC Name: N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
• SMILES: CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(F)cccc3Cl)nn12
• InChI: InChI=1S/C13H10ClF2N5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3
• InChIKey: PZUVOJPPAABOKJ-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.77
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?

The IUPAC name of N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 18983801) is N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?

The canonical SMILES for N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(F)cccc3Cl)nn12.

What is the InChIKey of N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?

The InChIKey is PZUVOJPPAABOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3.

What are the key properties of N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?

N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 389.77 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-fluorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 18983801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).