4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine

C19H23NO3S — CID 669090

IUPAC4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23NO3S/c1-23-18-7-9-19(10-8-18)24(21,22)20-13-11-17(12-14-20)15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3
InChIKeyPENLIVCYEQPEGG-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.34
Rot. Bonds5

About 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine

4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine (PubChem CID 669090) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine
PubChem CID669090
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23NO3S/c1-23-18-7-9-19(10-8-18)24(21,22)20-13-11-17(12-14-20)15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3
InChIKeyPENLIVCYEQPEGG-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine (CID 669090) is 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine?
The InChIKey is PENLIVCYEQPEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-23-18-7-9-19(10-8-18)24(21,22)20-13-11-17(12-14-20)15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3.
What are the key properties of 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine?
4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine has a molecular weight of 345.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 669090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).