4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine

C11H17F2N3O2S — CID 122424317

IUPAC4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine
SMILESCc1cc(S(=O)(=O)C(F)(F)C2CCNCC2)n(C)n1
InChIInChI=1S/C11H17F2N3O2S/c1-8-7-10(16(2)15-8)19(17,18)11(12,13)9-3-5-14-6-4-9/h7,9,14H,3-6H2,1-2H3
InChIKeyYLLSDBQCQLZNNG-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.09
Rot. Bonds3

About 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine

4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine (PubChem CID 122424317) has the molecular formula C11H17F2N3O2S and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine
PubChem CID122424317
Molecular FormulaC11H17F2N3O2S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine
SMILESCc1cc(S(=O)(=O)C(F)(F)C2CCNCC2)n(C)n1
InChIInChI=1S/C11H17F2N3O2S/c1-8-7-10(16(2)15-8)19(17,18)11(12,13)9-3-5-14-6-4-9/h7,9,14H,3-6H2,1-2H3
InChIKeyYLLSDBQCQLZNNG-UHFFFAOYSA-N
XLogP1.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine (CID 122424317) is 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine is Cc1cc(S(=O)(=O)C(F)(F)C2CCNCC2)n(C)n1.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine?
The InChIKey is YLLSDBQCQLZNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S/c1-8-7-10(16(2)15-8)19(17,18)11(12,13)9-3-5-14-6-4-9/h7,9,14H,3-6H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine?
4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine has a molecular weight of 293.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine is sourced from PubChem (CID 122424317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).