1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide

C19H23F5N2O7S2 — CID 58240432

IUPAC1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESO=C(N1CCCCC1)C(F)(F)S(=O)(=O)N(CCC1(c2ccccc2)OCCO1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C19H23F5N2O7S2/c20-18(21,16(27)25-10-5-2-6-11-25)34(28,29)26(35(30,31)19(22,23)24)12-9-17(32-13-14-33-17)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyVTIJULMGWUDSMK-UHFFFAOYSA-N
MW550.52 g/mol
LogP2.36
Rot. Bonds8

About 1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide

1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide (PubChem CID 58240432) has the molecular formula C19H23F5N2O7S2 and a molecular weight of 550.52 g/mol. Its IUPAC name is 1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide
PubChem CID58240432
Molecular FormulaC19H23F5N2O7S2
Molecular Weight550.52 g/mol
Exact Mass550.09
IUPAC Name1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESO=C(N1CCCCC1)C(F)(F)S(=O)(=O)N(CCC1(c2ccccc2)OCCO1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C19H23F5N2O7S2/c20-18(21,16(27)25-10-5-2-6-11-25)34(28,29)26(35(30,31)19(22,23)24)12-9-17(32-13-14-33-17)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyVTIJULMGWUDSMK-UHFFFAOYSA-N
XLogP2.36
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.52
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The IUPAC name of 1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide (CID 58240432) is 1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide is O=C(N1CCCCC1)C(F)(F)S(=O)(=O)N(CCC1(c2ccccc2)OCCO1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The InChIKey is VTIJULMGWUDSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F5N2O7S2/c20-18(21,16(27)25-10-5-2-6-11-25)34(28,29)26(35(30,31)19(22,23)24)12-9-17(32-13-14-33-17)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2.
What are the key properties of 1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide?
1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide has a molecular weight of 550.52 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-oxo-N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethyl]-2-piperidin-1-yl-N-(trifluoromethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 58240432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).