1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine

C12H15BrClNO2S — CID 39845692

IUPAC1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Br
InChIInChI=1S/C12H15BrClNO2S/c1-9-7-12(11(14)8-10(9)13)18(16,17)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3
InChIKeySPYWBFFDUXIRDT-UHFFFAOYSA-N
MW352.68 g/mol
LogP3.59
Rot. Bonds2

About 1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine

1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine (PubChem CID 39845692) has the molecular formula C12H15BrClNO2S and a molecular weight of 352.68 g/mol. Its IUPAC name is 1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine
PubChem CID39845692
Molecular FormulaC12H15BrClNO2S
Molecular Weight352.68 g/mol
Exact Mass350.97
IUPAC Name1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Br
InChIInChI=1S/C12H15BrClNO2S/c1-9-7-12(11(14)8-10(9)13)18(16,17)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3
InChIKeySPYWBFFDUXIRDT-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine (CID 39845692) is 1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine is Cc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Br.
What is the InChIKey of 1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine?
The InChIKey is SPYWBFFDUXIRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2S/c1-9-7-12(11(14)8-10(9)13)18(16,17)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3.
What are the key properties of 1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine?
1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine has a molecular weight of 352.68 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chloro-5-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 39845692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).