3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide

C25H29F4N5O5S2 — CID 121308287

About 3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide

3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 121308287) has the molecular formula C25H29F4N5O5S2 and a molecular weight of 619.66 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide
• PubChem CID: 121308287
• Molecular Formula: C25H29F4N5O5S2
• Molecular Weight: 619.66 g/mol
• Exact Mass: 619.15
• IUPAC Name: 3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide
• SMILES: CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)O)n3)nc2C(=O)N2CCC(F)CC2)c(C(F)F)c1F
• InChI: InChI=1S/C25H29F4N5O5S2/c1-12(2)33-41(37,38)15-6-5-14(17(18(15)27)21(28)29)20-19(24(35)34-9-7-13(26)8-10-34)31-23(40-20)22-30-16(39-32-22)11-25(3,4)36/h5-6,12-13,21,33,36H,7-11H2,1-4H3
• InChIKey: LRWSGZAOMKQDQV-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 138.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.66
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide?

The IUPAC name of 3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide (CID 121308287) is 3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide.

What is the SMILES notation for 3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide?

The canonical SMILES for 3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)O)n3)nc2C(=O)N2CCC(F)CC2)c(C(F)F)c1F.

What is the InChIKey of 3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide?

The InChIKey is LRWSGZAOMKQDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F4N5O5S2/c1-12(2)33-41(37,38)15-6-5-14(17(18(15)27)21(28)29)20-19(24(35)34-9-7-13(26)8-10-34)31-23(40-20)22-30-16(39-32-22)11-25(3,4)36/h5-6,12-13,21,33,36H,7-11H2,1-4H3.

What are the key properties of 3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide?

3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 619.66 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 121308287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).