(4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone

C19H19F2NO3S — CID 110394121

IUPAC(4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H19F2NO3S/c20-17-5-1-14(2-6-17)13-26(24,25)22-11-9-16(10-12-22)19(23)15-3-7-18(21)8-4-15/h1-8,16H,9-13H2
InChIKeyZZNVKWNRNYWWDI-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.39
Rot. Bonds5

About (4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone (PubChem CID 110394121) has the molecular formula C19H19F2NO3S and a molecular weight of 379.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone
PubChem CID110394121
Molecular FormulaC19H19F2NO3S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name(4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H19F2NO3S/c20-17-5-1-14(2-6-17)13-26(24,25)22-11-9-16(10-12-22)19(23)15-3-7-18(21)8-4-15/h1-8,16H,9-13H2
InChIKeyZZNVKWNRNYWWDI-UHFFFAOYSA-N
XLogP3.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone (CID 110394121) is (4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone?
The InChIKey is ZZNVKWNRNYWWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3S/c20-17-5-1-14(2-6-17)13-26(24,25)22-11-9-16(10-12-22)19(23)15-3-7-18(21)8-4-15/h1-8,16H,9-13H2.
What are the key properties of (4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone has a molecular weight of 379.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 110394121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).