1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine

C14H19BrClNO2S — CID 50876636

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCc1cc(Br)c(S(=O)(=O)N2CC(C)CC(C)C2)cc1Cl
InChIInChI=1S/C14H19BrClNO2S/c1-9-4-10(2)8-17(7-9)20(18,19)14-6-13(16)11(3)5-12(14)15/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyVYBIHVUIJJLWFM-UHFFFAOYSA-N
MW380.74 g/mol
LogP4.08
Rot. Bonds2

About 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine

1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 50876636) has the molecular formula C14H19BrClNO2S and a molecular weight of 380.74 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID50876636
Molecular FormulaC14H19BrClNO2S
Molecular Weight380.74 g/mol
Exact Mass379.00
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCc1cc(Br)c(S(=O)(=O)N2CC(C)CC(C)C2)cc1Cl
InChIInChI=1S/C14H19BrClNO2S/c1-9-4-10(2)8-17(7-9)20(18,19)14-6-13(16)11(3)5-12(14)15/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyVYBIHVUIJJLWFM-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.74
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine (CID 50876636) is 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine is Cc1cc(Br)c(S(=O)(=O)N2CC(C)CC(C)C2)cc1Cl.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is VYBIHVUIJJLWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2S/c1-9-4-10(2)8-17(7-9)20(18,19)14-6-13(16)11(3)5-12(14)15/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine?
1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 380.74 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 50876636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).