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

C11H18ClF2N3O2S — CID 122424316

IUPAC4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride
SMILESCc1cc(S(=O)(=O)C(F)(F)C2CCNCC2)n(C)n1.Cl
InChIInChI=1S/C11H17F2N3O2S.ClH/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;1H
InChIKeyQNWVKEXBQPIFMI-UHFFFAOYSA-N
MW329.80 g/mol
LogP1.52
Rot. Bonds3

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

4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride (PubChem CID 122424316) has the molecular formula C11H18ClF2N3O2S and a molecular weight of 329.80 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride
PubChem CID122424316
Molecular FormulaC11H18ClF2N3O2S
Molecular Weight329.80 g/mol
Exact Mass329.08
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride
SMILESCc1cc(S(=O)(=O)C(F)(F)C2CCNCC2)n(C)n1.Cl
InChIInChI=1S/C11H17F2N3O2S.ClH/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;1H
InChIKeyQNWVKEXBQPIFMI-UHFFFAOYSA-N
XLogP1.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 51.52
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;hydrochloride?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride (CID 122424316) is 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride is Cc1cc(S(=O)(=O)C(F)(F)C2CCNCC2)n(C)n1.Cl.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride?
The InChIKey is QNWVKEXBQPIFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S.ClH/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;1H.
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride?
4-[(2,5-dimethylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride has a molecular weight of 329.80 g/mol, XLogP of 1.52, 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;hydrochloride is sourced from PubChem (CID 122424316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).