(4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone

C18H17F2NO3S — CID 6734717

IUPAC(4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H17F2NO3S/c19-15-6-4-13(5-7-15)18(22)14-8-10-21(11-9-14)25(23,24)17-3-1-2-16(20)12-17/h1-7,12,14H,8-11H2
InChIKeySMXGMHOISJKWLF-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.25
Rot. Bonds4

About (4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone

(4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 6734717) has the molecular formula C18H17F2NO3S and a molecular weight of 365.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID6734717
Molecular FormulaC18H17F2NO3S
Molecular Weight365.40 g/mol
Exact Mass365.09
IUPAC Name(4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H17F2NO3S/c19-15-6-4-13(5-7-15)18(22)14-8-10-21(11-9-14)25(23,24)17-3-1-2-16(20)12-17/h1-7,12,14H,8-11H2
InChIKeySMXGMHOISJKWLF-UHFFFAOYSA-N
XLogP3.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone (CID 6734717) is (4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is SMXGMHOISJKWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S/c19-15-6-4-13(5-7-15)18(22)14-8-10-21(11-9-14)25(23,24)17-3-1-2-16(20)12-17/h1-7,12,14H,8-11H2.
What are the key properties of (4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 365.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 6734717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).