1-(benzenesulfonyl)-4-phenylpiperidine

C17H19NO2S — CID 4602720

IUPAC1-(benzenesulfonyl)-4-phenylpiperidine
SMILESO=S(=O)(c1ccccc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H19NO2S/c19-21(20,17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-10,16H,11-14H2
InChIKeySUTKAMIIADDPLM-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.25
Rot. Bonds3

About 1-(benzenesulfonyl)-4-phenylpiperidine

1-(benzenesulfonyl)-4-phenylpiperidine (PubChem CID 4602720) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-phenylpiperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-phenylpiperidine
PubChem CID4602720
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-(benzenesulfonyl)-4-phenylpiperidine
SMILESO=S(=O)(c1ccccc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H19NO2S/c19-21(20,17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-10,16H,11-14H2
InChIKeySUTKAMIIADDPLM-UHFFFAOYSA-N
XLogP3.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(benzenesulfonyl)-4-phenylpiperidine 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 1-(benzenesulfonyl)-4-phenylpiperidine?
The IUPAC name of 1-(benzenesulfonyl)-4-phenylpiperidine (CID 4602720) is 1-(benzenesulfonyl)-4-phenylpiperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-phenylpiperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-phenylpiperidine is O=S(=O)(c1ccccc1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-phenylpiperidine?
The InChIKey is SUTKAMIIADDPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-21(20,17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-10,16H,11-14H2.
What are the key properties of 1-(benzenesulfonyl)-4-phenylpiperidine?
1-(benzenesulfonyl)-4-phenylpiperidine has a molecular weight of 301.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-phenylpiperidine is sourced from PubChem (CID 4602720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).