5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one

C15H18FN3O3S — CID 155987121

IUPAC5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(C2CCCCN2S(=O)(=O)c2cccc(F)c2)cc1=O
InChIInChI=1S/C15H18FN3O3S/c1-18-15(20)10-13(17-18)14-7-2-3-8-19(14)23(21,22)12-6-4-5-11(16)9-12/h4-6,9-10,14,17H,2-3,7-8H2,1H3
InChIKeyNUISGXWKIIKQNJ-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.77
Rot. Bonds3

About 5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one

5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one (PubChem CID 155987121) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one
PubChem CID155987121
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(C2CCCCN2S(=O)(=O)c2cccc(F)c2)cc1=O
InChIInChI=1S/C15H18FN3O3S/c1-18-15(20)10-13(17-18)14-7-2-3-8-19(14)23(21,22)12-6-4-5-11(16)9-12/h4-6,9-10,14,17H,2-3,7-8H2,1H3
InChIKeyNUISGXWKIIKQNJ-UHFFFAOYSA-N
XLogP1.77
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'2-acetyl-(2S)-1-[(4-fluorophenyl)sulfonyl]-2-piperidinecarbohydrazide
CID 57053283
N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (non-preferred name)
CID 3320644
N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide
CID 23000788
3-fluoro-N-[1-(3-methylbut-2-enoyl)piperidin-3-yl]benzenesulfonamide
CID 53607778
3-fluoro-N-[1-[(2E,4E)-hexa-2,4-dienoyl]piperidin-3-yl]benzenesulfonamide
CID 60261310
3-fluoro-N-(1-hexa-2,4-dienoylpiperidin-3-yl)benzenesulfonamide
CID 72687865
3-fluoro-N-[(3S)-1-(3-methylbut-2-enoyl)piperidin-3-yl]benzenesulfonamide
CID 95330386
3-fluoro-N-[(3R)-1-(3-methylbut-2-enoyl)piperidin-3-yl]benzenesulfonamide
CID 95330387
4-fluoro-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide
CID 108481046
6-(4-fluorophenyl)sulfonyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
CID 108481075
5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216081
2-[(4-fluorophenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)butanamide
CID 110496392

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one (CID 155987121) is 5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one is Cn1[nH]c(C2CCCCN2S(=O)(=O)c2cccc(F)c2)cc1=O.
What is the InChIKey of 5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one?
The InChIKey is NUISGXWKIIKQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-18-15(20)10-13(17-18)14-7-2-3-8-19(14)23(21,22)12-6-4-5-11(16)9-12/h4-6,9-10,14,17H,2-3,7-8H2,1H3.
What are the key properties of 5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one?
5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one has a molecular weight of 339.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 155987121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).