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

C19H20FNO3S — CID 55529221

IUPAC[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FNO3S/c20-18-8-6-15(7-9-18)14-25(23,24)21-12-10-17(11-13-21)19(22)16-4-2-1-3-5-16/h1-9,17H,10-14H2
InChIKeyPUNWQHTXJSCOTB-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.25
Rot. Bonds5

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

[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone (PubChem CID 55529221) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
PubChem CID55529221
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FNO3S/c20-18-8-6-15(7-9-18)14-25(23,24)21-12-10-17(11-13-21)19(22)16-4-2-1-3-5-16/h1-9,17H,10-14H2
InChIKeyPUNWQHTXJSCOTB-UHFFFAOYSA-N
XLogP3.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303
(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone
CID 110394840
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394433
[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]-phenylmethanone
CID 110357734
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 110394038
1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 30391483
1-[(4-fluorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92680370
[1-[(4-chlorophenyl)methylsulfonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 110394846
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421
1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine
CID 110868518
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
CID 103834665

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone (CID 55529221) is [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is PUNWQHTXJSCOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c20-18-8-6-15(7-9-18)14-25(23,24)21-12-10-17(11-13-21)19(22)16-4-2-1-3-5-16/h1-9,17H,10-14H2.
What are the key properties of [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone?
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 361.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 55529221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).