1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine

C15H18FN3O2S — CID 121188663

IUPAC1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
SMILESCn1ccc(C2CCCN(S(=O)(=O)c3cccc(F)c3)C2)n1
InChIInChI=1S/C15H18FN3O2S/c1-18-9-7-15(17-18)12-4-3-8-19(11-12)22(20,21)14-6-2-5-13(16)10-14/h2,5-7,9-10,12H,3-4,8,11H2,1H3
InChIKeyJAILGODSDKZTTI-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.13
Rot. Bonds3

About 1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine

1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine (PubChem CID 121188663) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
PubChem CID121188663
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
SMILESCn1ccc(C2CCCN(S(=O)(=O)c3cccc(F)c3)C2)n1
InChIInChI=1S/C15H18FN3O2S/c1-18-9-7-15(17-18)12-4-3-8-19(11-12)22(20,21)14-6-2-5-13(16)10-14/h2,5-7,9-10,12H,3-4,8,11H2,1H3
InChIKeyJAILGODSDKZTTI-UHFFFAOYSA-N
XLogP2.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine (CID 121188663) is 1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine is Cn1ccc(C2CCCN(S(=O)(=O)c3cccc(F)c3)C2)n1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The InChIKey is JAILGODSDKZTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-18-9-7-15(17-18)12-4-3-8-19(11-12)22(20,21)14-6-2-5-13(16)10-14/h2,5-7,9-10,12H,3-4,8,11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine has a molecular weight of 323.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 121188663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).