1-(4-chloro-3-methylphenyl)sulfonylpiperidine

C12H16ClNO2S — CID 775495

IUPAC1-(4-chloro-3-methylphenyl)sulfonylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C12H16ClNO2S/c1-10-9-11(5-6-12(10)13)17(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyGIYPLWXJHOUMIY-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.82
Rot. Bonds2

About 1-(4-chloro-3-methylphenyl)sulfonylpiperidine

1-(4-chloro-3-methylphenyl)sulfonylpiperidine (PubChem CID 775495) has the molecular formula C12H16ClNO2S and a molecular weight of 273.79 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)sulfonylpiperidine
PubChem CID775495
Molecular FormulaC12H16ClNO2S
Molecular Weight273.79 g/mol
Exact Mass273.06
IUPAC Name1-(4-chloro-3-methylphenyl)sulfonylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C12H16ClNO2S/c1-10-9-11(5-6-12(10)13)17(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyGIYPLWXJHOUMIY-UHFFFAOYSA-N
XLogP2.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonylpiperidine (CID 775495) is 1-(4-chloro-3-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)sulfonylpiperidine is Cc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)sulfonylpiperidine?
The InChIKey is GIYPLWXJHOUMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-10-9-11(5-6-12(10)13)17(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)sulfonylpiperidine?
1-(4-chloro-3-methylphenyl)sulfonylpiperidine has a molecular weight of 273.79 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 775495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).