1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine

C13H18BrNO2S — CID 2873404

IUPAC1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C13H18BrNO2S/c1-10-6-7-12(14)9-13(10)18(16,17)15-8-4-3-5-11(15)2/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyHANLZLMKNWZRGY-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.32
Rot. Bonds2

About 1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine

1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine (PubChem CID 2873404) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
PubChem CID2873404
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C13H18BrNO2S/c1-10-6-7-12(14)9-13(10)18(16,17)15-8-4-3-5-11(15)2/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyHANLZLMKNWZRGY-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
CID 5025166
1-(5-bromo-2-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60660873
1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 60660626
1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-2-methylpiperidine
CID 3840038
1-(5-bromo-2-methylphenyl)sulfonylazepane
CID 876435
3-[1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469187
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
CID 66485991
3-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyridazin-6-one
CID 23611824
5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62150356
1-(5-bromo-2-methylphenyl)sulfonyl-4-methylpiperidin-3-ol
CID 103896903
1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 126478749
[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219098

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine (CID 2873404) is 1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine is Cc1ccc(Br)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine?
The InChIKey is HANLZLMKNWZRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-10-6-7-12(14)9-13(10)18(16,17)15-8-4-3-5-11(15)2/h6-7,9,11H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine?
1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine has a molecular weight of 332.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 2873404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).