4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine

C19H22ClNO2S — CID 71699216

IUPAC4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine
SMILESO=S(=O)(Cc1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22ClNO2S/c20-19-8-4-7-18(14-19)15-24(22,23)21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2
InChIKeyDRLWUAWEAANLSB-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.12
Rot. Bonds5

About 4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine

4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine (PubChem CID 71699216) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is 4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine
PubChem CID71699216
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine
SMILESO=S(=O)(Cc1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22ClNO2S/c20-19-8-4-7-18(14-19)15-24(22,23)21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2
InChIKeyDRLWUAWEAANLSB-UHFFFAOYSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine?
The IUPAC name of 4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine (CID 71699216) is 4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine is O=S(=O)(Cc1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine?
The InChIKey is DRLWUAWEAANLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c20-19-8-4-7-18(14-19)15-24(22,23)21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2.
What are the key properties of 4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine?
4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine has a molecular weight of 363.91 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(3-chlorophenyl)methylsulfonyl]piperidine is sourced from PubChem (CID 71699216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).