6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one

C15H15F2N3O3S — CID 110115186

IUPAC6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=c1nccc(C2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)[nH]1
InChIInChI=1S/C15H15F2N3O3S/c16-12-4-3-11(8-13(12)17)24(22,23)20-7-1-2-10(9-20)14-5-6-18-15(21)19-14/h3-6,8,10H,1-2,7,9H2,(H,18,19,21)
InChIKeyJSLWMAOKRGWWKX-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.62
Rot. Bonds3

About 6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one

6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 110115186) has the molecular formula C15H15F2N3O3S and a molecular weight of 355.37 g/mol. Its IUPAC name is 6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID110115186
Molecular FormulaC15H15F2N3O3S
Molecular Weight355.37 g/mol
Exact Mass355.08
IUPAC Name6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=c1nccc(C2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)[nH]1
InChIInChI=1S/C15H15F2N3O3S/c16-12-4-3-11(8-13(12)17)24(22,23)20-7-1-2-10(9-20)14-5-6-18-15(21)19-14/h3-6,8,10H,1-2,7,9H2,(H,18,19,21)
InChIKeyJSLWMAOKRGWWKX-UHFFFAOYSA-N
XLogP1.62
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 110115095
6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124955446
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 124562567
6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124983935
3-(bromomethyl)-1-(3,4-difluorophenyl)sulfonylpiperidine
CID 80673180
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 110104922
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
(3aS,6aR)-2-(3,4-difluorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 173069403
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
1-(3,4-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147289
(3S)-1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354830

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one (CID 110115186) is 6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one is O=c1nccc(C2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)[nH]1.
What is the InChIKey of 6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is JSLWMAOKRGWWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3S/c16-12-4-3-11(8-13(12)17)24(22,23)20-7-1-2-10(9-20)14-5-6-18-15(21)19-14/h3-6,8,10H,1-2,7,9H2,(H,18,19,21).
What are the key properties of 6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one?
6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 355.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 110115186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).