5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine

C24H24FNO2S — CID 102167205

IUPAC5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CC(F)CC(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C24H24FNO2S/c1-19-12-14-23(15-13-19)29(27,28)26-17-22(25)16-24(18-26,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-18H2,1H3
InChIKeyLWMRDCBHBPQUMO-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.71
Rot. Bonds4

About 5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine

5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine (PubChem CID 102167205) has the molecular formula C24H24FNO2S and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine.

Molecular Properties

Compound Name5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine
PubChem CID102167205
Molecular FormulaC24H24FNO2S
Molecular Weight409.53 g/mol
Exact Mass409.15
IUPAC Name5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CC(F)CC(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C24H24FNO2S/c1-19-12-14-23(15-13-19)29(27,28)26-17-22(25)16-24(18-26,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-18H2,1H3
InChIKeyLWMRDCBHBPQUMO-UHFFFAOYSA-N
XLogP4.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine?
The IUPAC name of 5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine (CID 102167205) is 5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine.
What is the SMILES notation for 5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine?
The canonical SMILES for 5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine is Cc1ccc(S(=O)(=O)N2CC(F)CC(c3ccccc3)(c3ccccc3)C2)cc1.
What is the InChIKey of 5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine?
The InChIKey is LWMRDCBHBPQUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2S/c1-19-12-14-23(15-13-19)29(27,28)26-17-22(25)16-24(18-26,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-18H2,1H3.
What are the key properties of 5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine?
5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine has a molecular weight of 409.53 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine is sourced from PubChem (CID 102167205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).