5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one

C15H17F2N3O3S — CID 155985482

IUPAC5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(C2CCCCN2S(=O)(=O)c2ccc(F)c(F)c2)cc1=O
InChIInChI=1S/C15H17F2N3O3S/c1-19-15(21)9-13(18-19)14-4-2-3-7-20(14)24(22,23)10-5-6-11(16)12(17)8-10/h5-6,8-9,14,18H,2-4,7H2,1H3
InChIKeyJWJQGTJUDNIRSY-UHFFFAOYSA-N
MW357.38 g/mol
LogP1.91
Rot. Bonds3

About 5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one

5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one (PubChem CID 155985482) has the molecular formula C15H17F2N3O3S and a molecular weight of 357.38 g/mol. Its IUPAC name is 5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one
PubChem CID155985482
Molecular FormulaC15H17F2N3O3S
Molecular Weight357.38 g/mol
Exact Mass357.10
IUPAC Name5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(C2CCCCN2S(=O)(=O)c2ccc(F)c(F)c2)cc1=O
InChIInChI=1S/C15H17F2N3O3S/c1-19-15(21)9-13(18-19)14-4-2-3-7-20(14)24(22,23)10-5-6-11(16)12(17)8-10/h5-6,8-9,14,18H,2-4,7H2,1H3
InChIKeyJWJQGTJUDNIRSY-UHFFFAOYSA-N
XLogP1.91
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-2-methyl-1H-pyrazol-3-one
CID 118538474
[8-(2,5-difluorophenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-(2,3-dihydro-1H-triazol-4-yl)methanone
CID 132185623
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
5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216081
3-[4-(4-fluorophenyl)sulfonylpiperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one
CID 155957761
5-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one
CID 155985481
5-[1-(3-fluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one
CID 155987121

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one (CID 155985482) is 5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one is Cn1[nH]c(C2CCCCN2S(=O)(=O)c2ccc(F)c(F)c2)cc1=O.
What is the InChIKey of 5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one?
The InChIKey is JWJQGTJUDNIRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3S/c1-19-15(21)9-13(18-19)14-4-2-3-7-20(14)24(22,23)10-5-6-11(16)12(17)8-10/h5-6,8-9,14,18H,2-4,7H2,1H3.
What are the key properties of 5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one?
5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one has a molecular weight of 357.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 155985482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).