4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine

C24H27NO3S — CID 155539049

IUPAC4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(Oc3ccc4ccccc4c3)CC2)c(C)c1
InChIInChI=1S/C24H27NO3S/c1-17-14-18(2)24(19(3)15-17)29(26,27)25-12-10-22(11-13-25)28-23-9-8-20-6-4-5-7-21(20)16-23/h4-9,14-16,22H,10-13H2,1-3H3
InChIKeyPCZTVTBJAZESED-UHFFFAOYSA-N
MW409.55 g/mol
LogP5.00
Rot. Bonds4

About 4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine

4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine (PubChem CID 155539049) has the molecular formula C24H27NO3S and a molecular weight of 409.55 g/mol. Its IUPAC name is 4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
PubChem CID155539049
Molecular FormulaC24H27NO3S
Molecular Weight409.55 g/mol
Exact Mass409.17
IUPAC Name4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(Oc3ccc4ccccc4c3)CC2)c(C)c1
InChIInChI=1S/C24H27NO3S/c1-17-14-18(2)24(19(3)15-17)29(26,27)25-12-10-22(11-13-25)28-23-9-8-20-6-4-5-7-21(20)16-23/h4-9,14-16,22H,10-13H2,1-3H3
InChIKeyPCZTVTBJAZESED-UHFFFAOYSA-N
XLogP5.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The IUPAC name of 4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine (CID 155539049) is 4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine is Cc1cc(C)c(S(=O)(=O)N2CCC(Oc3ccc4ccccc4c3)CC2)c(C)c1.
What is the InChIKey of 4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The InChIKey is PCZTVTBJAZESED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3S/c1-17-14-18(2)24(19(3)15-17)29(26,27)25-12-10-22(11-13-25)28-23-9-8-20-6-4-5-7-21(20)16-23/h4-9,14-16,22H,10-13H2,1-3H3.
What are the key properties of 4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine has a molecular weight of 409.55 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 155539049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).