(2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one

C24H23NO3S — CID 102040975

IUPAC(2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one
SMILESCc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)CC(=O)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H23NO3S/c1-18-12-14-22(15-13-18)29(27,28)25-23(19-8-4-2-5-9-19)16-21(26)17-24(25)20-10-6-3-7-11-20/h2-15,23-24H,16-17H2,1H3/t23-,24+
InChIKeyAWKJCFBPXBAPFB-PSWAGMNNSA-N
MW405.52 g/mol
LogP4.83
Rot. Bonds4

About (2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one

(2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one (PubChem CID 102040975) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is (2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one.

Molecular Properties

Compound Name(2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one
PubChem CID102040975
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name(2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one
SMILESCc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)CC(=O)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H23NO3S/c1-18-12-14-22(15-13-18)29(27,28)25-23(19-8-4-2-5-9-19)16-21(26)17-24(25)20-10-6-3-7-11-20/h2-15,23-24H,16-17H2,1H3/t23-,24+
InChIKeyAWKJCFBPXBAPFB-PSWAGMNNSA-N
XLogP4.83
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one?
The IUPAC name of (2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one (CID 102040975) is (2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one.
What is the SMILES notation for (2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one?
The canonical SMILES for (2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one is Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)CC(=O)C[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one?
The InChIKey is AWKJCFBPXBAPFB-PSWAGMNNSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-18-12-14-22(15-13-18)29(27,28)25-23(19-8-4-2-5-9-19)16-21(26)17-24(25)20-10-6-3-7-11-20/h2-15,23-24H,16-17H2,1H3/t23-,24+.
What are the key properties of (2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one?
(2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one has a molecular weight of 405.52 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-(4-methylphenyl)sulfonyl-2,6-diphenylpiperidin-4-one is sourced from PubChem (CID 102040975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).