4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine

C18H20ClNO2S — CID 710407

IUPAC4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H20ClNO2S/c19-17-6-8-18(9-7-17)23(21,22)20-12-10-16(11-13-20)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2
InChIKeyFDOUWHOQTJKHEX-UHFFFAOYSA-N
MW349.88 g/mol
LogP3.98
Rot. Bonds4

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

4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine (PubChem CID 710407) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine
PubChem CID710407
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H20ClNO2S/c19-17-6-8-18(9-7-17)23(21,22)20-12-10-16(11-13-20)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2
InChIKeyFDOUWHOQTJKHEX-UHFFFAOYSA-N
XLogP3.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine?
The IUPAC name of 4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine (CID 710407) is 4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine?
The InChIKey is FDOUWHOQTJKHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c19-17-6-8-18(9-7-17)23(21,22)20-12-10-16(11-13-20)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2.
What are the key properties of 4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine?
4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine has a molecular weight of 349.88 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine is sourced from PubChem (CID 710407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).