1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide

C20H19FN6O4S — CID 134543329

About 1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide

1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide (PubChem CID 134543329) has the molecular formula C20H19FN6O4S and a molecular weight of 458.48 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: 1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide
• PubChem CID: 134543329
• Molecular Formula: C20H19FN6O4S
• Molecular Weight: 458.48 g/mol
• Exact Mass: 458.12
• IUPAC Name: 1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide
• SMILES: COc1ccccc1-n1c(NS(=O)(=O)C(C)Cc2ncc(F)cn2)nnc1-c1ccco1
• InChI: InChI=1S/C20H19FN6O4S/c1-13(10-18-22-11-14(21)12-23-18)32(28,29)26-20-25-24-19(17-8-5-9-31-17)27(20)15-6-3-4-7-16(15)30-2/h3-9,11-13H,10H2,1-2H3,(H,25,26)
• InChIKey: OUORVVFAEZFRNX-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 125.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.48
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide?

The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide (CID 134543329) is 1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide.

What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide?

The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide is COc1ccccc1-n1c(NS(=O)(=O)C(C)Cc2ncc(F)cn2)nnc1-c1ccco1.

What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide?

The InChIKey is OUORVVFAEZFRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O4S/c1-13(10-18-22-11-14(21)12-23-18)32(28,29)26-20-25-24-19(17-8-5-9-31-17)27(20)15-6-3-4-7-16(15)30-2/h3-9,11-13H,10H2,1-2H3,(H,25,26).

What are the key properties of 1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide?

1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide has a molecular weight of 458.48 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-fluoropyrimidin-2-yl)-N-[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 134543329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).