[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone

C19H20FNO3S — CID 70754050

IUPAC[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO3S/c1-25(23,24)17-11-7-15(8-12-17)19(22)21-13-3-2-4-18(21)14-5-9-16(20)10-6-14/h5-12,18H,2-4,13H2,1H3
InChIKeyYACQCKZMILGGJH-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.60
Rot. Bonds3

About [2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone

[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone (PubChem CID 70754050) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is [2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
PubChem CID70754050
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO3S/c1-25(23,24)17-11-7-15(8-12-17)19(22)21-13-3-2-4-18(21)14-5-9-16(20)10-6-14/h5-12,18H,2-4,13H2,1H3
InChIKeyYACQCKZMILGGJH-UHFFFAOYSA-N
XLogP3.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-[(2S)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 32626765
5-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70770514
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 47019414
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 56801188
[2-(4-fluorophenyl)piperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 70772344
[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 70744880
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone
CID 9361971
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
1-[5-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 32626574
1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 51338954
[2-(4-fluorophenyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70732659
4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 26996046

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone?
The IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone (CID 70754050) is [2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)N2CCCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone?
The InChIKey is YACQCKZMILGGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-25(23,24)17-11-7-15(8-12-17)19(22)21-13-3-2-4-18(21)14-5-9-16(20)10-6-14/h5-12,18H,2-4,13H2,1H3.
What are the key properties of [2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone?
[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone has a molecular weight of 361.44 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 70754050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).