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

C20H19F5N6O4S — CID 135320998

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

N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-methylcyclopropanesulfonamide (PubChem CID 135320998) has the molecular formula C20H19F5N6O4S and a molecular weight of 534.47 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-methylcyclopropanesulfonamide
• PubChem CID: 135320998
• Molecular Formula: C20H19F5N6O4S
• Molecular Weight: 534.47 g/mol
• Exact Mass: 534.11
• IUPAC Name: N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-methylcyclopropanesulfonamide
• SMILES: CN(CC(Nc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(OC(F)F)cc1F)S(=O)(=O)C1CC1
• InChI: InChI=1S/C20H19F5N6O4S/c1-31(36(32,33)12-3-4-12)9-15(13-5-2-11(6-14(13)21)34-19(24)25)28-20-26-7-10(8-27-20)17-29-30-18(35-17)16(22)23/h2,5-8,12,15-16,19H,3-4,9H2,1H3,(H,26,27,28)
• InChIKey: KUOSNAYGCGNJQW-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 123.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.47
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-methylcyclopropanesulfonamide (CID 135320998) is N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-methylcyclopropanesulfonamide.

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

The canonical SMILES for N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-methylcyclopropanesulfonamide is CN(CC(Nc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(OC(F)F)cc1F)S(=O)(=O)C1CC1.

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

The InChIKey is KUOSNAYGCGNJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N6O4S/c1-31(36(32,33)12-3-4-12)9-15(13-5-2-11(6-14(13)21)34-19(24)25)28-20-26-7-10(8-27-20)17-29-30-18(35-17)16(22)23/h2,5-8,12,15-16,19H,3-4,9H2,1H3,(H,26,27,28).

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

N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-methylcyclopropanesulfonamide has a molecular weight of 534.47 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 135320998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).