1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine

C12H15BrClNO2S — CID 1068611

IUPAC1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C12H15BrClNO2S/c1-9-4-6-15(7-5-9)18(16,17)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7H2,1H3
InChIKeyZMOYIBBWQJCSQK-UHFFFAOYSA-N
MW352.68 g/mol
LogP3.52
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine

1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine (PubChem CID 1068611) has the molecular formula C12H15BrClNO2S and a molecular weight of 352.68 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine
PubChem CID1068611
Molecular FormulaC12H15BrClNO2S
Molecular Weight352.68 g/mol
Exact Mass350.97
IUPAC Name1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C12H15BrClNO2S/c1-9-4-6-15(7-5-9)18(16,17)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7H2,1H3
InChIKeyZMOYIBBWQJCSQK-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.68
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine (CID 1068611) is 1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine is CC1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine?
The InChIKey is ZMOYIBBWQJCSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2S/c1-9-4-6-15(7-5-9)18(16,17)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine?
1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine has a molecular weight of 352.68 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 1068611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).