N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide

C19H21F3N6O3S — CID 135320985

About N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide

N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide (PubChem CID 135320985) has the molecular formula C19H21F3N6O3S and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
• PubChem CID: 135320985
• Molecular Formula: C19H21F3N6O3S
• Molecular Weight: 470.48 g/mol
• Exact Mass: 470.13
• IUPAC Name: N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
• SMILES: CC(C)CS(=O)(=O)NCC(Nc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)cc1
• InChI: InChI=1S/C19H21F3N6O3S/c1-11(2)10-32(29,30)25-9-15(12-3-5-14(20)6-4-12)26-19-23-7-13(8-24-19)17-27-28-18(31-17)16(21)22/h3-8,11,15-16,25H,9-10H2,1-2H3,(H,23,24,26)
• InChIKey: PQOFQUYKYJGBJK-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 122.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.48
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide?

The IUPAC name of N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide (CID 135320985) is N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide.

What is the SMILES notation for N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide?

The canonical SMILES for N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCC(Nc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)cc1.

What is the InChIKey of N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide?

The InChIKey is PQOFQUYKYJGBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O3S/c1-11(2)10-32(29,30)25-9-15(12-3-5-14(20)6-4-12)26-19-23-7-13(8-24-19)17-27-28-18(31-17)16(21)22/h3-8,11,15-16,25H,9-10H2,1-2H3,(H,23,24,26).

What are the key properties of N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide?

N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide has a molecular weight of 470.48 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 135320985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).