4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

C17H23N3O3S — CID 72549319

IUPAC4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C17H23N3O3S/c1-13-17(14(2)19(3)18-13)24(21,22)20-11-9-16(10-12-20)23-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3
InChIKeyUOPFZPMEKNDBSU-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.27
Rot. Bonds4

About 4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 72549319) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID72549319
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C17H23N3O3S/c1-13-17(14(2)19(3)18-13)24(21,22)20-11-9-16(10-12-20)23-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3
InChIKeyUOPFZPMEKNDBSU-UHFFFAOYSA-N
XLogP2.27
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (CID 72549319) is 4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is UOPFZPMEKNDBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13-17(14(2)19(3)18-13)24(21,22)20-11-9-16(10-12-20)23-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3.
What are the key properties of 4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 349.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 72549319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).