1-[(2-chlorophenyl)methylsulfonyl]piperidine

C12H16ClNO2S — CID 714986

IUPAC1-[(2-chlorophenyl)methylsulfonyl]piperidine
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCCCC1
InChIInChI=1S/C12H16ClNO2S/c13-12-7-3-2-6-11(12)10-17(15,16)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2
InChIKeyFYMZPIUADONJTH-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.66
Rot. Bonds3

About 1-[(2-chlorophenyl)methylsulfonyl]piperidine

1-[(2-chlorophenyl)methylsulfonyl]piperidine (PubChem CID 714986) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]piperidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]piperidine
PubChem CID714986
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]piperidine
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCCCC1
InChIInChI=1S/C12H16ClNO2S/c13-12-7-3-2-6-11(12)10-17(15,16)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2
InChIKeyFYMZPIUADONJTH-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]piperidine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]piperidine (CID 714986) is 1-[(2-chlorophenyl)methylsulfonyl]piperidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]piperidine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]piperidine is O=S(=O)(Cc1ccccc1Cl)N1CCCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]piperidine?
The InChIKey is FYMZPIUADONJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c13-12-7-3-2-6-11(12)10-17(15,16)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]piperidine?
1-[(2-chlorophenyl)methylsulfonyl]piperidine has a molecular weight of 273.78 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]piperidine is sourced from PubChem (CID 714986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).