1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine

C14H15F2N3O2S — CID 86769473

IUPAC1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCC(c2cn[nH]c2)C1
InChIInChI=1S/C14H15F2N3O2S/c15-12-4-13(16)6-14(5-12)22(20,21)19-3-1-2-10(9-19)11-7-17-18-8-11/h4-8,10H,1-3,9H2,(H,17,18)
InChIKeyDROIRHIRUVILIF-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.26
Rot. Bonds3

About 1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine

1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine (PubChem CID 86769473) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine
PubChem CID86769473
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCC(c2cn[nH]c2)C1
InChIInChI=1S/C14H15F2N3O2S/c15-12-4-13(16)6-14(5-12)22(20,21)19-3-1-2-10(9-19)11-7-17-18-8-11/h4-8,10H,1-3,9H2,(H,17,18)
InChIKeyDROIRHIRUVILIF-UHFFFAOYSA-N
XLogP2.26
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
CID 97055812
3-(4-chlorophenyl)-1-(3,5-difluorophenyl)sulfonylazepane
CID 121146821
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
(3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95275233
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119968867
(1S)-1-[(3S)-1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 97239680
(1R)-1-[(3R)-1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 97239679
2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 95810775
2-[(3-fluorophenyl)methyl]-6-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 110250016
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 121069531
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine (CID 86769473) is 1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine is O=S(=O)(c1cc(F)cc(F)c1)N1CCCC(c2cn[nH]c2)C1.
What is the InChIKey of 1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine?
The InChIKey is DROIRHIRUVILIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c15-12-4-13(16)6-14(5-12)22(20,21)19-3-1-2-10(9-19)11-7-17-18-8-11/h4-8,10H,1-3,9H2,(H,17,18).
What are the key properties of 1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine?
1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine has a molecular weight of 327.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 86769473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).