4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

C21H25N3O3S — CID 72549544

IUPAC4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H25N3O3S/c1-15-21(16(2)23(3)22-15)28(25,26)24-12-10-19(11-13-24)27-20-9-8-17-6-4-5-7-18(17)14-20/h4-9,14,19H,10-13H2,1-3H3
InChIKeyAQGCEEFKPPNGMT-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.42
Rot. Bonds4

About 4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 72549544) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID72549544
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H25N3O3S/c1-15-21(16(2)23(3)22-15)28(25,26)24-12-10-19(11-13-24)27-20-9-8-17-6-4-5-7-18(17)14-20/h4-9,14,19H,10-13H2,1-3H3
InChIKeyAQGCEEFKPPNGMT-UHFFFAOYSA-N
XLogP3.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (CID 72549544) is 4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is AQGCEEFKPPNGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-15-21(16(2)23(3)22-15)28(25,26)24-12-10-19(11-13-24)27-20-9-8-17-6-4-5-7-18(17)14-20/h4-9,14,19H,10-13H2,1-3H3.
What are the key properties of 4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 399.52 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 72549544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).