4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine

C27H26FN3O2S — CID 46097738

IUPAC4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1
InChIInChI=1S/C27H26FN3O2S/c1-20-12-13-23(28)18-27(20)34(32,33)30-16-14-24(15-17-30)31-26(22-10-6-3-7-11-22)19-25(29-31)21-8-4-2-5-9-21/h2-13,18-19,24H,14-17H2,1H3
InChIKeyDZINICRQBOSPSN-UHFFFAOYSA-N
MW475.59 g/mol
LogP5.69
Rot. Bonds5

About 4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine

4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine (PubChem CID 46097738) has the molecular formula C27H26FN3O2S and a molecular weight of 475.59 g/mol. Its IUPAC name is 4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
PubChem CID46097738
Molecular FormulaC27H26FN3O2S
Molecular Weight475.59 g/mol
Exact Mass475.17
IUPAC Name4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1
InChIInChI=1S/C27H26FN3O2S/c1-20-12-13-23(28)18-27(20)34(32,33)30-16-14-24(15-17-30)31-26(22-10-6-3-7-11-22)19-25(29-31)21-8-4-2-5-9-21/h2-13,18-19,24H,14-17H2,1H3
InChIKeyDZINICRQBOSPSN-UHFFFAOYSA-N
XLogP5.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine (CID 46097738) is 4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine is Cc1ccc(F)cc1S(=O)(=O)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1.
What is the InChIKey of 4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine?
The InChIKey is DZINICRQBOSPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2S/c1-20-12-13-23(28)18-27(20)34(32,33)30-16-14-24(15-17-30)31-26(22-10-6-3-7-11-22)19-25(29-31)21-8-4-2-5-9-21/h2-13,18-19,24H,14-17H2,1H3.
What are the key properties of 4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine?
4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine has a molecular weight of 475.59 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylpyrazol-1-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 46097738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).