N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide

C16H23FN2O3S — CID 75372260

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2F)CC1)C1CCOC1
InChIInChI=1S/C16H23FN2O3S/c17-16-4-2-1-3-13(16)11-19-8-5-14(6-9-19)18-23(20,21)15-7-10-22-12-15/h1-4,14-15,18H,5-12H2
InChIKeyCYQOQAHVIIDJHT-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.50
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide

N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide (PubChem CID 75372260) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide
PubChem CID75372260
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2F)CC1)C1CCOC1
InChIInChI=1S/C16H23FN2O3S/c17-16-4-2-1-3-13(16)11-19-8-5-14(6-9-19)18-23(20,21)15-7-10-22-12-15/h1-4,14-15,18H,5-12H2
InChIKeyCYQOQAHVIIDJHT-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide (CID 75372260) is N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2F)CC1)C1CCOC1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide?
The InChIKey is CYQOQAHVIIDJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c17-16-4-2-1-3-13(16)11-19-8-5-14(6-9-19)18-23(20,21)15-7-10-22-12-15/h1-4,14-15,18H,5-12H2.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide has a molecular weight of 342.44 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-sulfonamide is sourced from PubChem (CID 75372260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).