(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone

C19H20FNO3S — CID 25490028

IUPAC(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C19H20FNO3S/c1-25(23,24)21-11-5-8-16(13-21)19(22)15-9-10-17(18(20)12-15)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3/t16-/m0/s1
InChIKeyFFDFXFAXNGBOSO-INIZCTEOSA-N
MW361.44 g/mol
LogP3.35
Rot. Bonds4

About (3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone

(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone (PubChem CID 25490028) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is (3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
PubChem CID25490028
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C19H20FNO3S/c1-25(23,24)21-11-5-8-16(13-21)19(22)15-9-10-17(18(20)12-15)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3/t16-/m0/s1
InChIKeyFFDFXFAXNGBOSO-INIZCTEOSA-N
XLogP3.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-(3-fluoro-4-phenylphenyl)methanone
CID 146006711
(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide
CID 26393022
3-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-N-methylpropanamide
CID 95525253
N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide
CID 45241693
(3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone
CID 45252549
(3-fluoro-4-phenylphenyl)-[(3R)-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]methanone
CID 42241584
1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 45206143
[2-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-2-oxoethyl]urea
CID 95709449
ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 26406608
(3-fluoro-4-phenylphenyl)-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 45248514
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]ethanone
CID 45169691
(3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 42403988

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone?
The IUPAC name of (3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone (CID 25490028) is (3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for (3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone?
The canonical SMILES for (3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone is CS(=O)(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1.
What is the InChIKey of (3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone?
The InChIKey is FFDFXFAXNGBOSO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-25(23,24)21-11-5-8-16(13-21)19(22)15-9-10-17(18(20)12-15)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3/t16-/m0/s1.
What are the key properties of (3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone?
(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone has a molecular weight of 361.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 25490028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).