1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine

C14H16FN3O2S — CID 118740396

IUPAC1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C14H16FN3O2S/c15-11-4-3-5-12(10-11)21(19,20)18-9-2-1-6-14(18)13-7-8-16-17-13/h3-5,7-8,10,14H,1-2,6,9H2,(H,16,17)
InChIKeyRQDZLONEZKGECG-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.46
Rot. Bonds3

About 1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine

1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine (PubChem CID 118740396) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
PubChem CID118740396
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C14H16FN3O2S/c15-11-4-3-5-12(10-11)21(19,20)18-9-2-1-6-14(18)13-7-8-16-17-13/h3-5,7-8,10,14H,1-2,6,9H2,(H,16,17)
InChIKeyRQDZLONEZKGECG-UHFFFAOYSA-N
XLogP2.46
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
CID 110271118
1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118741478
1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 18170893
4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 110114763
1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 110257208
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124976182
3-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 18096917
2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepane
CID 53096212
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92569582
5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole
CID 110250144
2-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 126778989

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine (CID 118740396) is 1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine is O=S(=O)(c1cccc(F)c1)N1CCCCC1c1ccn[nH]1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine?
The InChIKey is RQDZLONEZKGECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-11-4-3-5-12(10-11)21(19,20)18-9-2-1-6-14(18)13-7-8-16-17-13/h3-5,7-8,10,14H,1-2,6,9H2,(H,16,17).
What are the key properties of 1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine?
1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine has a molecular weight of 309.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 118740396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).