4-(benzenesulfonyl)-1-benzylpiperidine

C18H21NO2S — CID 11120635

IUPAC4-(benzenesulfonyl)-1-benzylpiperidine
SMILESO=S(=O)(c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21NO2S/c20-22(21,17-9-5-2-6-10-17)18-11-13-19(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChIKeyVHVBJIUGIKWGKJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.12
Rot. Bonds4

About 4-(benzenesulfonyl)-1-benzylpiperidine

4-(benzenesulfonyl)-1-benzylpiperidine (PubChem CID 11120635) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-benzylpiperidine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-benzylpiperidine
PubChem CID11120635
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name4-(benzenesulfonyl)-1-benzylpiperidine
SMILESO=S(=O)(c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21NO2S/c20-22(21,17-9-5-2-6-10-17)18-11-13-19(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChIKeyVHVBJIUGIKWGKJ-UHFFFAOYSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(benzenesulfonyl)-1-benzylpiperidine 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-(benzenesulfonyl)-1-benzylpiperidine?
The IUPAC name of 4-(benzenesulfonyl)-1-benzylpiperidine (CID 11120635) is 4-(benzenesulfonyl)-1-benzylpiperidine.
What is the SMILES notation for 4-(benzenesulfonyl)-1-benzylpiperidine?
The canonical SMILES for 4-(benzenesulfonyl)-1-benzylpiperidine is O=S(=O)(c1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-1-benzylpiperidine?
The InChIKey is VHVBJIUGIKWGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c20-22(21,17-9-5-2-6-10-17)18-11-13-19(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2.
What are the key properties of 4-(benzenesulfonyl)-1-benzylpiperidine?
4-(benzenesulfonyl)-1-benzylpiperidine has a molecular weight of 315.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-benzylpiperidine is sourced from PubChem (CID 11120635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).