1-(2-bromo-4-chlorophenyl)sulfonylpiperidine

C11H13BrClNO2S — CID 772156

IUPAC1-(2-bromo-4-chlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)cc1Br)N1CCCCC1
InChIInChI=1S/C11H13BrClNO2S/c12-10-8-9(13)4-5-11(10)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKeyWBOLWSACURXERW-UHFFFAOYSA-N
MW338.65 g/mol
LogP3.28
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)sulfonylpiperidine

1-(2-bromo-4-chlorophenyl)sulfonylpiperidine (PubChem CID 772156) has the molecular formula C11H13BrClNO2S and a molecular weight of 338.65 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)sulfonylpiperidine
PubChem CID772156
Molecular FormulaC11H13BrClNO2S
Molecular Weight338.65 g/mol
Exact Mass336.95
IUPAC Name1-(2-bromo-4-chlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)cc1Br)N1CCCCC1
InChIInChI=1S/C11H13BrClNO2S/c12-10-8-9(13)4-5-11(10)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKeyWBOLWSACURXERW-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.65
LogP ≤ 53.28
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)sulfonylpiperidine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)sulfonylpiperidine (CID 772156) is 1-(2-bromo-4-chlorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(Cl)cc1Br)N1CCCCC1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)sulfonylpiperidine?
The InChIKey is WBOLWSACURXERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2S/c12-10-8-9(13)4-5-11(10)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)sulfonylpiperidine?
1-(2-bromo-4-chlorophenyl)sulfonylpiperidine has a molecular weight of 338.65 g/mol, XLogP of 3.28, 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)sulfonylpiperidine is sourced from PubChem (CID 772156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).