N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide

C25H24F6N2O4S — CID 178179946

About N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide

N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide (PubChem CID 178179946) has the molecular formula C25H24F6N2O4S and a molecular weight of 564.54 g/mol. Its IUPAC name is N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide
• PubChem CID: 178179946
• Molecular Formula: C25H24F6N2O4S
• Molecular Weight: 564.54 g/mol
• Exact Mass: 564.15
• IUPAC Name: N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide
• SMILES: [2H]C1([2H])C2C(NS(=O)(=O)C3CC3)C(Cc3cccc(-c4cc(F)cc(F)c4)c3F)N(C(=O)[C@@](C)(O)C(F)(F)F)C21
• InChI: InChI=1S/C25H24F6N2O4S/c1-24(35,25(29,30)31)23(34)33-19-11-18(19)22(32-38(36,37)16-5-6-16)20(33)9-12-3-2-4-17(21(12)28)13-7-14(26)10-15(27)8-13/h2-4,7-8,10,16,18-20,22,32,35H,5-6,9,11H2,1H3/t18?,19?,20?,22?,24-/m1/s1/i11D2
• InChIKey: XLCLXAJNHOFFBH-HLFUKARRSA-N
• XLogP: 3.68
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.54
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide?

The IUPAC name of N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide (CID 178179946) is N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide.

What is the SMILES notation for N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide?

The canonical SMILES for N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide is [2H]C1([2H])C2C(NS(=O)(=O)C3CC3)C(Cc3cccc(-c4cc(F)cc(F)c4)c3F)N(C(=O)[C@@](C)(O)C(F)(F)F)C21.

What is the InChIKey of N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide?

The InChIKey is XLCLXAJNHOFFBH-HLFUKARRSA-N. The full InChI is InChI=1S/C25H24F6N2O4S/c1-24(35,25(29,30)31)23(34)33-19-11-18(19)22(32-38(36,37)16-5-6-16)20(33)9-12-3-2-4-17(21(12)28)13-7-14(26)10-15(27)8-13/h2-4,7-8,10,16,18-20,22,32,35H,5-6,9,11H2,1H3/t18?,19?,20?,22?,24-/m1/s1/i11D2.

What are the key properties of N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide?

N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide has a molecular weight of 564.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6,6-dideuterio-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]-2-azabicyclo[3.1.0]hexan-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 178179946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).