1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine

C16H19F2N3O2S — CID 133300693

IUPAC1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine
SMILESCn1cc(C2CCN(c3ccccc3S(=O)(=O)C(F)F)CC2)cn1
InChIInChI=1S/C16H19F2N3O2S/c1-20-11-13(10-19-20)12-6-8-21(9-7-12)14-4-2-3-5-15(14)24(22,23)16(17)18/h2-5,10-12,16H,6-9H2,1H3
InChIKeyJCFZGYZHTDHZAI-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.80
Rot. Bonds4

About 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine

1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine (PubChem CID 133300693) has the molecular formula C16H19F2N3O2S and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine
PubChem CID133300693
Molecular FormulaC16H19F2N3O2S
Molecular Weight355.41 g/mol
Exact Mass355.12
IUPAC Name1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine
SMILESCn1cc(C2CCN(c3ccccc3S(=O)(=O)C(F)F)CC2)cn1
InChIInChI=1S/C16H19F2N3O2S/c1-20-11-13(10-19-20)12-6-8-21(9-7-12)14-4-2-3-5-15(14)24(22,23)16(17)18/h2-5,10-12,16H,6-9H2,1H3
InChIKeyJCFZGYZHTDHZAI-UHFFFAOYSA-N
XLogP2.80
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine?
The IUPAC name of 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine (CID 133300693) is 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine.
What is the SMILES notation for 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine?
The canonical SMILES for 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine is Cn1cc(C2CCN(c3ccccc3S(=O)(=O)C(F)F)CC2)cn1.
What is the InChIKey of 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine?
The InChIKey is JCFZGYZHTDHZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2S/c1-20-11-13(10-19-20)12-6-8-21(9-7-12)14-4-2-3-5-15(14)24(22,23)16(17)18/h2-5,10-12,16H,6-9H2,1H3.
What are the key properties of 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine?
1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine has a molecular weight of 355.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethylsulfonyl)phenyl]-4-(1-methylpyrazol-4-yl)piperidine is sourced from PubChem (CID 133300693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).