1-(benzenesulfonyl)-4-benzylpiperidine

C18H21NO2S — CID 727417

IUPAC1-(benzenesulfonyl)-4-benzylpiperidine
SMILESO=S(=O)(c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H21NO2S/c20-22(21,18-9-5-2-6-10-18)19-13-11-17(12-14-19)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2
InChIKeyHYSYUQJJRUVDQY-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.33
Rot. Bonds4

About 1-(benzenesulfonyl)-4-benzylpiperidine

1-(benzenesulfonyl)-4-benzylpiperidine (PubChem CID 727417) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-benzylpiperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-benzylpiperidine
PubChem CID727417
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name1-(benzenesulfonyl)-4-benzylpiperidine
SMILESO=S(=O)(c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H21NO2S/c20-22(21,18-9-5-2-6-10-18)19-13-11-17(12-14-19)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2
InChIKeyHYSYUQJJRUVDQY-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-benzylpiperidine?
The IUPAC name of 1-(benzenesulfonyl)-4-benzylpiperidine (CID 727417) is 1-(benzenesulfonyl)-4-benzylpiperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-benzylpiperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-benzylpiperidine is O=S(=O)(c1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-benzylpiperidine?
The InChIKey is HYSYUQJJRUVDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c20-22(21,18-9-5-2-6-10-18)19-13-11-17(12-14-19)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2.
What are the key properties of 1-(benzenesulfonyl)-4-benzylpiperidine?
1-(benzenesulfonyl)-4-benzylpiperidine has a molecular weight of 315.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-benzylpiperidine is sourced from PubChem (CID 727417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).