1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine

C15H17F2N3O2S — CID 71781206

IUPAC1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C15H17F2N3O2S/c16-13-3-1-4-14(17)15(13)23(21,22)20-9-5-12(6-10-20)11-19-8-2-7-18-19/h1-4,7-8,12H,5-6,9-11H2
InChIKeyBAVSLWSXXYDCFU-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.26
Rot. Bonds4

About 1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine

1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine (PubChem CID 71781206) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine
PubChem CID71781206
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C15H17F2N3O2S/c16-13-3-1-4-14(17)15(13)23(21,22)20-9-5-12(6-10-20)11-19-8-2-7-18-19/h1-4,7-8,12H,5-6,9-11H2
InChIKeyBAVSLWSXXYDCFU-UHFFFAOYSA-N
XLogP2.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine (CID 71781206) is 1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine is O=S(=O)(c1c(F)cccc1F)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is BAVSLWSXXYDCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c16-13-3-1-4-14(17)15(13)23(21,22)20-9-5-12(6-10-20)11-19-8-2-7-18-19/h1-4,7-8,12H,5-6,9-11H2.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine?
1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 341.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-4-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 71781206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).