4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine

C24H23ClFNO2S — CID 156503555

IUPAC4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine
SMILESCc1ccc(S(=O)(=O)c2ccccc2N2CCC(c3ccc(Cl)cc3F)CC2)cc1
InChIInChI=1S/C24H23ClFNO2S/c1-17-6-9-20(10-7-17)30(28,29)24-5-3-2-4-23(24)27-14-12-18(13-15-27)21-11-8-19(25)16-22(21)26/h2-11,16,18H,12-15H2,1H3
InChIKeyOGAKJNBHSYGYJG-UHFFFAOYSA-N
MW443.97 g/mol
LogP6.00
Rot. Bonds4

About 4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine

4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine (PubChem CID 156503555) has the molecular formula C24H23ClFNO2S and a molecular weight of 443.97 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine
PubChem CID156503555
Molecular FormulaC24H23ClFNO2S
Molecular Weight443.97 g/mol
Exact Mass443.11
IUPAC Name4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine
SMILESCc1ccc(S(=O)(=O)c2ccccc2N2CCC(c3ccc(Cl)cc3F)CC2)cc1
InChIInChI=1S/C24H23ClFNO2S/c1-17-6-9-20(10-7-17)30(28,29)24-5-3-2-4-23(24)27-14-12-18(13-15-27)21-11-8-19(25)16-22(21)26/h2-11,16,18H,12-15H2,1H3
InChIKeyOGAKJNBHSYGYJG-UHFFFAOYSA-N
XLogP6.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.97
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine (CID 156503555) is 4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine is Cc1ccc(S(=O)(=O)c2ccccc2N2CCC(c3ccc(Cl)cc3F)CC2)cc1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine?
The InChIKey is OGAKJNBHSYGYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFNO2S/c1-17-6-9-20(10-7-17)30(28,29)24-5-3-2-4-23(24)27-14-12-18(13-15-27)21-11-8-19(25)16-22(21)26/h2-11,16,18H,12-15H2,1H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine?
4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine has a molecular weight of 443.97 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-1-[2-(4-methylphenyl)sulfonylphenyl]piperidine is sourced from PubChem (CID 156503555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).