4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide

C18H18F2N2O3S — CID 3218816

IUPAC4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide
SMILESO=C(NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O3S/c19-14-6-4-13(5-7-14)18(23)21-16-8-10-22(11-9-16)26(24,25)17-3-1-2-15(20)12-17/h1-7,12,16H,8-11H2,(H,21,23)
InChIKeyFCENNMKAWKZIMS-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.55
Rot. Bonds4

About 4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide

4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 3218816) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID3218816
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide
SMILESO=C(NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O3S/c19-14-6-4-13(5-7-14)18(23)21-16-8-10-22(11-9-16)26(24,25)17-3-1-2-15(20)12-17/h1-7,12,16H,8-11H2,(H,21,23)
InChIKeyFCENNMKAWKZIMS-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide (CID 3218816) is 4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide is O=C(NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is FCENNMKAWKZIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-14-6-4-13(5-7-14)18(23)21-16-8-10-22(11-9-16)26(24,25)17-3-1-2-15(20)12-17/h1-7,12,16H,8-11H2,(H,21,23).
What are the key properties of 4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide?
4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 380.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 3218816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).