1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

C20H19FN4O4S — CID 16854859

About 1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 16854859) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 16854859
• Molecular Formula: C20H19FN4O4S
• Molecular Weight: 430.46 g/mol
• Exact Mass: 430.11
• IUPAC Name: 1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• SMILES: Cc1cccc(-c2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(F)cc3)o2)c1
• InChI: InChI=1S/C20H19FN4O4S/c1-13-4-2-5-14(12-13)19-23-24-20(29-19)22-18(26)17-6-3-11-25(17)30(27,28)16-9-7-15(21)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,22,24,26)
• InChIKey: LSWLZEOZCNRPDL-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.46
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (CID 16854859) is 1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is Cc1cccc(-c2nnc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(F)cc3)o2)c1.

What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is LSWLZEOZCNRPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c1-13-4-2-5-14(12-13)19-23-24-20(29-19)22-18(26)17-6-3-11-25(17)30(27,28)16-9-7-15(21)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,22,24,26).

What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 16854859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).