1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide

C18H27FN2O3S — CID 91813031

IUPAC1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H27FN2O3S/c19-17-3-1-16(2-4-17)14-25(22,23)20-13-15-5-9-21(10-6-15)18-7-11-24-12-8-18/h1-4,15,18,20H,5-14H2
InChIKeyIEVRJEOTLFDQNN-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.14
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 91813031) has the molecular formula C18H27FN2O3S and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID91813031
Molecular FormulaC18H27FN2O3S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Name1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H27FN2O3S/c19-17-3-1-16(2-4-17)14-25(22,23)20-13-15-5-9-21(10-6-15)18-7-11-24-12-8-18/h1-4,15,18,20H,5-14H2
InChIKeyIEVRJEOTLFDQNN-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide (CID 91813031) is 1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is IEVRJEOTLFDQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3S/c19-17-3-1-16(2-4-17)14-25(22,23)20-13-15-5-9-21(10-6-15)18-7-11-24-12-8-18/h1-4,15,18,20H,5-14H2.
What are the key properties of 1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 370.49 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 91813031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).