(2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone

C18H15F4NO3S — CID 2741468

IUPAC(2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1F)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H15F4NO3S/c19-12-1-3-14(15(21)9-12)18(24)11-5-7-23(8-6-11)27(25,26)17-4-2-13(20)10-16(17)22/h1-4,9-11H,5-8H2
InChIKeyFCCFRXTWNYPFPK-UHFFFAOYSA-N
MW401.38 g/mol
LogP3.53
Rot. Bonds4

About (2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone

(2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 2741468) has the molecular formula C18H15F4NO3S and a molecular weight of 401.38 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID2741468
Molecular FormulaC18H15F4NO3S
Molecular Weight401.38 g/mol
Exact Mass401.07
IUPAC Name(2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1F)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H15F4NO3S/c19-12-1-3-14(15(21)9-12)18(24)11-5-7-23(8-6-11)27(25,26)17-4-2-13(20)10-16(17)22/h1-4,9-11H,5-8H2
InChIKeyFCCFRXTWNYPFPK-UHFFFAOYSA-N
XLogP3.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone (CID 2741468) is (2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone is O=C(c1ccc(F)cc1F)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is FCCFRXTWNYPFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO3S/c19-12-1-3-14(15(21)9-12)18(24)11-5-7-23(8-6-11)27(25,26)17-4-2-13(20)10-16(17)22/h1-4,9-11H,5-8H2.
What are the key properties of (2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone?
(2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 401.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 2741468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).