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

C20H22FNO3S — CID 55913303

IUPAC[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FNO3S/c1-15-2-6-17(7-3-15)20(23)18-10-12-22(13-11-18)26(24,25)14-16-4-8-19(21)9-5-16/h2-9,18H,10-14H2,1H3
InChIKeyDUIQSORGFZIAOG-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.56
Rot. Bonds5

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

[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 55913303) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID55913303
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FNO3S/c1-15-2-6-17(7-3-15)20(23)18-10-12-22(13-11-18)26(24,25)14-16-4-8-19(21)9-5-16/h2-9,18H,10-14H2,1H3
InChIKeyDUIQSORGFZIAOG-UHFFFAOYSA-N
XLogP3.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 55529221
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 30388912
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394433
[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-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone
CID 110394840
(4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone
CID 110394842
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
3-(4-fluorophenyl)-1-[(4-methylphenyl)methylsulfonyl]azepane
CID 121146377
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
CID 103834665
N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393897

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone (CID 55913303) is [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is DUIQSORGFZIAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c1-15-2-6-17(7-3-15)20(23)18-10-12-22(13-11-18)26(24,25)14-16-4-8-19(21)9-5-16/h2-9,18H,10-14H2,1H3.
What are the key properties of [1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 375.47 g/mol, XLogP of 3.56, 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]-(4-methylphenyl)methanone is sourced from PubChem (CID 55913303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).