5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide

C19H21FN4O3S — CID 53154490

About 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide (PubChem CID 53154490) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide.

Molecular Properties

• Compound Name: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide
• PubChem CID: 53154490
• Molecular Formula: C19H21FN4O3S
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.13
• IUPAC Name: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide
• SMILES: Cc1ccc(NS(=O)(=O)c2c(C)c(-c3nnc(C4CC4)o3)n(C)c2C)cc1F
• InChI: InChI=1S/C19H21FN4O3S/c1-10-5-8-14(9-15(10)20)23-28(25,26)17-11(2)16(24(4)12(17)3)19-22-21-18(27-19)13-6-7-13/h5,8-9,13,23H,6-7H2,1-4H3
• InChIKey: ZQYTXLZUUIDNRX-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide?

The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide (CID 53154490) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide.

What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide?

The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)c(-c3nnc(C4CC4)o3)n(C)c2C)cc1F.

What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide?

The InChIKey is ZQYTXLZUUIDNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-10-5-8-14(9-15(10)20)23-28(25,26)17-11(2)16(24(4)12(17)3)19-22-21-18(27-19)13-6-7-13/h5,8-9,13,23H,6-7H2,1-4H3.

What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide?

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide has a molecular weight of 404.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53154490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).