2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine

C24H23F2NO2S — CID 164682677

IUPAC2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23F2NO2S/c1-17-2-12-23(13-3-17)30(28,29)27-15-14-20(18-4-8-21(25)9-5-18)16-24(27)19-6-10-22(26)11-7-19/h2-13,20,24H,14-16H2,1H3
InChIKeyHKFJGNDFCMHGOA-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.58
Rot. Bonds4

About 2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine

2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 164682677) has the molecular formula C24H23F2NO2S and a molecular weight of 427.52 g/mol. Its IUPAC name is 2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID164682677
Molecular FormulaC24H23F2NO2S
Molecular Weight427.52 g/mol
Exact Mass427.14
IUPAC Name2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23F2NO2S/c1-17-2-12-23(13-3-17)30(28,29)27-15-14-20(18-4-8-21(25)9-5-18)16-24(27)19-6-10-22(26)11-7-19/h2-13,20,24H,14-16H2,1H3
InChIKeyHKFJGNDFCMHGOA-UHFFFAOYSA-N
XLogP5.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine (CID 164682677) is 2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2c2ccc(F)cc2)cc1.
What is the InChIKey of 2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is HKFJGNDFCMHGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO2S/c1-17-2-12-23(13-3-17)30(28,29)27-15-14-20(18-4-8-21(25)9-5-18)16-24(27)19-6-10-22(26)11-7-19/h2-13,20,24H,14-16H2,1H3.
What are the key properties of 2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine?
2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 427.52 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 164682677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).