1-(benzenesulfonyl)-3-phenylmethoxypiperidine

C18H21NO3S — CID 46029116

IUPAC1-(benzenesulfonyl)-3-phenylmethoxypiperidine
SMILESO=S(=O)(c1ccccc1)N1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C18H21NO3S/c20-23(21,18-11-5-2-6-12-18)19-13-7-10-17(14-19)22-15-16-8-3-1-4-9-16/h1-6,8-9,11-12,17H,7,10,13-15H2
InChIKeyAZQXMTXTUCVZBX-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.06
Rot. Bonds5

About 1-(benzenesulfonyl)-3-phenylmethoxypiperidine

1-(benzenesulfonyl)-3-phenylmethoxypiperidine (PubChem CID 46029116) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-phenylmethoxypiperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-phenylmethoxypiperidine
PubChem CID46029116
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name1-(benzenesulfonyl)-3-phenylmethoxypiperidine
SMILESO=S(=O)(c1ccccc1)N1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C18H21NO3S/c20-23(21,18-11-5-2-6-12-18)19-13-7-10-17(14-19)22-15-16-8-3-1-4-9-16/h1-6,8-9,11-12,17H,7,10,13-15H2
InChIKeyAZQXMTXTUCVZBX-UHFFFAOYSA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-phenylmethoxypiperidine?
The IUPAC name of 1-(benzenesulfonyl)-3-phenylmethoxypiperidine (CID 46029116) is 1-(benzenesulfonyl)-3-phenylmethoxypiperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-phenylmethoxypiperidine?
The canonical SMILES for 1-(benzenesulfonyl)-3-phenylmethoxypiperidine is O=S(=O)(c1ccccc1)N1CCCC(OCc2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3-phenylmethoxypiperidine?
The InChIKey is AZQXMTXTUCVZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c20-23(21,18-11-5-2-6-12-18)19-13-7-10-17(14-19)22-15-16-8-3-1-4-9-16/h1-6,8-9,11-12,17H,7,10,13-15H2.
What are the key properties of 1-(benzenesulfonyl)-3-phenylmethoxypiperidine?
1-(benzenesulfonyl)-3-phenylmethoxypiperidine has a molecular weight of 331.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-phenylmethoxypiperidine is sourced from PubChem (CID 46029116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).