3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine

C24H23FN2O4S — CID 122380275

IUPAC3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine
SMILESCC1(F)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C24H23FN2O4S/c1-23(25)16-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)18-26(17-23)32(30,31)22-14-12-21(13-15-22)27(28)29/h2-15H,16-18H2,1H3
InChIKeyZHUXSYZBNBAXDY-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.70
Rot. Bonds5

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

3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine (PubChem CID 122380275) has the molecular formula C24H23FN2O4S and a molecular weight of 454.52 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine
PubChem CID122380275
Molecular FormulaC24H23FN2O4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC Name3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine
SMILESCC1(F)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C24H23FN2O4S/c1-23(25)16-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)18-26(17-23)32(30,31)22-14-12-21(13-15-22)27(28)29/h2-15H,16-18H2,1H3
InChIKeyZHUXSYZBNBAXDY-UHFFFAOYSA-N
XLogP4.70
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine?
The IUPAC name of 3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine (CID 122380275) is 3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine?
The canonical SMILES for 3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine is CC1(F)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine?
The InChIKey is ZHUXSYZBNBAXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S/c1-23(25)16-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)18-26(17-23)32(30,31)22-14-12-21(13-15-22)27(28)29/h2-15H,16-18H2,1H3.
What are the key properties of 3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine?
3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine has a molecular weight of 454.52 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-(4-nitrophenyl)sulfonyl-5,5-diphenylpiperidine is sourced from PubChem (CID 122380275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).