[(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone

C20H22FNO4S — CID 42214782

IUPAC[(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2C)C1
InChIInChI=1S/C20H22FNO4S/c1-14-9-10-16(21)12-19(14)27(24,25)22-11-5-6-15(13-22)20(23)17-7-3-4-8-18(17)26-2/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-/m0/s1
InChIKeyWKFRDXHFODDBQD-HNNXBMFYSA-N
MW391.46 g/mol
LogP3.43
Rot. Bonds5

About [(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone

[(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone (PubChem CID 42214782) has the molecular formula C20H22FNO4S and a molecular weight of 391.46 g/mol. Its IUPAC name is [(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone
PubChem CID42214782
Molecular FormulaC20H22FNO4S
Molecular Weight391.46 g/mol
Exact Mass391.13
IUPAC Name[(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2C)C1
InChIInChI=1S/C20H22FNO4S/c1-14-9-10-16(21)12-19(14)27(24,25)22-11-5-6-15(13-22)20(23)17-7-3-4-8-18(17)26-2/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-/m0/s1
InChIKeyWKFRDXHFODDBQD-HNNXBMFYSA-N
XLogP3.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone with MolForge

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Related Compounds

methyl (3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 79031942
(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide
CID 125043565
(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30401699
N-(2,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872989
(3R)-N-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126396882
(3S)-N-(2,4-difluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397123
[(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 125049746
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 125061964
(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 30401696
methyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 79476883
1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone
CID 63846761
1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132458

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone (CID 42214782) is [(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2C)C1.
What is the InChIKey of [(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone?
The InChIKey is WKFRDXHFODDBQD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22FNO4S/c1-14-9-10-16(21)12-19(14)27(24,25)22-11-5-6-15(13-22)20(23)17-7-3-4-8-18(17)26-2/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of [(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone?
[(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone has a molecular weight of 391.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 42214782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).