1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine

C12H15Cl2NO2S — CID 2806413

IUPAC1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO2S/c1-9-4-2-3-7-15(9)18(16,17)12-8-10(13)5-6-11(12)14/h5-6,8-9H,2-4,7H2,1H3
InChIKeyJKIAXUYHVXSVCZ-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.56
Rot. Bonds2

About 1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine

1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine (PubChem CID 2806413) has the molecular formula C12H15Cl2NO2S and a molecular weight of 308.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine
PubChem CID2806413
Molecular FormulaC12H15Cl2NO2S
Molecular Weight308.23 g/mol
Exact Mass307.02
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO2S/c1-9-4-2-3-7-15(9)18(16,17)12-8-10(13)5-6-11(12)14/h5-6,8-9H,2-4,7H2,1H3
InChIKeyJKIAXUYHVXSVCZ-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine (CID 2806413) is 1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine is CC1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine?
The InChIKey is JKIAXUYHVXSVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2S/c1-9-4-2-3-7-15(9)18(16,17)12-8-10(13)5-6-11(12)14/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine?
1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine has a molecular weight of 308.23 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 2806413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).