3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide

C25H26F2N2O2S — CID 166755951

IUPAC3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCCC(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H26F2N2O2S/c1-18-4-14-24(15-5-18)28-32(30,31)29-16-2-3-21(17-29)25(19-6-10-22(26)11-7-19)20-8-12-23(27)13-9-20/h4-15,21,25,28H,2-3,16-17H2,1H3
InChIKeyAPUDFGVUCCAGEE-UHFFFAOYSA-N
MW456.56 g/mol
LogP5.47
Rot. Bonds6

About 3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide

3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide (PubChem CID 166755951) has the molecular formula C25H26F2N2O2S and a molecular weight of 456.56 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide
PubChem CID166755951
Molecular FormulaC25H26F2N2O2S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC Name3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCCC(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H26F2N2O2S/c1-18-4-14-24(15-5-18)28-32(30,31)29-16-2-3-21(17-29)25(19-6-10-22(26)11-7-19)20-8-12-23(27)13-9-20/h4-15,21,25,28H,2-3,16-17H2,1H3
InChIKeyAPUDFGVUCCAGEE-UHFFFAOYSA-N
XLogP5.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.56
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfinamide
CID 166756141
3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide
CID 106061692
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
N-(6-fluoro-3-pyridinyl)-3-methylpiperidine-1-sulfonamide
CID 103777926
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 166755800
4-fluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide
CID 7343180
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(S)-(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 100669848
1-[1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710910
4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
CID 43508068
1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859865

Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide?
The IUPAC name of 3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide (CID 166755951) is 3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide is Cc1ccc(NS(=O)(=O)N2CCCC(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide?
The InChIKey is APUDFGVUCCAGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O2S/c1-18-4-14-24(15-5-18)28-32(30,31)29-16-2-3-21(17-29)25(19-6-10-22(26)11-7-19)20-8-12-23(27)13-9-20/h4-15,21,25,28H,2-3,16-17H2,1H3.
What are the key properties of 3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide?
3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide has a molecular weight of 456.56 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 166755951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).