N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide

C28H28F3N5O5S — CID 73332415

About N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide

N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide (PubChem CID 73332415) has the molecular formula C28H28F3N5O5S and a molecular weight of 603.62 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide
• PubChem CID: 73332415
• Molecular Formula: C28H28F3N5O5S
• Molecular Weight: 603.62 g/mol
• Exact Mass: 603.18
• IUPAC Name: N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide
• SMILES: CN(C)S(=O)(=O)N1CCC(c2cccc(Cn3cc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)ccc3=O)c2)CC1
• InChI: InChI=1S/C28H28F3N5O5S/c1-34(2)42(38,39)36-14-12-20(13-15-36)22-5-3-4-19(16-22)17-35-18-23(8-11-25(35)37)27-32-26(33-41-27)21-6-9-24(10-7-21)40-28(29,30)31/h3-11,16,18,20H,12-15,17H2,1-2H3
• InChIKey: LAIDVIRQOWCRSR-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 110.77 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.62
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide?

The IUPAC name of N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide (CID 73332415) is N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide.

What is the SMILES notation for N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide?

The canonical SMILES for N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(c2cccc(Cn3cc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)ccc3=O)c2)CC1.

What is the InChIKey of N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide?

The InChIKey is LAIDVIRQOWCRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O5S/c1-34(2)42(38,39)36-14-12-20(13-15-36)22-5-3-4-19(16-22)17-35-18-23(8-11-25(35)37)27-32-26(33-41-27)21-6-9-24(10-7-21)40-28(29,30)31/h3-11,16,18,20H,12-15,17H2,1-2H3.

What are the key properties of N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide?

N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide has a molecular weight of 603.62 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide is sourced from PubChem (CID 73332415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).