1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine

C14H19BrFNO2S — CID 107650396

IUPAC1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C14H19BrFNO2S/c1-9-6-10(2)11(3)17(8-9)20(18,19)12-4-5-13(15)14(16)7-12/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyMIGOFCQJGMQJKI-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.64
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine

1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine (PubChem CID 107650396) has the molecular formula C14H19BrFNO2S and a molecular weight of 364.28 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine
PubChem CID107650396
Molecular FormulaC14H19BrFNO2S
Molecular Weight364.28 g/mol
Exact Mass363.03
IUPAC Name1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C14H19BrFNO2S/c1-9-6-10(2)11(3)17(8-9)20(18,19)12-4-5-13(15)14(16)7-12/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyMIGOFCQJGMQJKI-UHFFFAOYSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-methylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594701
2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591895
[2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 114592907
2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591958
[1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 107650207
4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine
CID 103697971
1-(4-bromo-3-fluorophenyl)sulfonyl-2-methylazepane
CID 113242607
[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 114597642
1-(4-bromo-3-fluorophenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 107649963
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107327541
[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090902
1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 103697257

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine (CID 107650396) is 1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine is CC1CC(C)C(C)N(S(=O)(=O)c2ccc(Br)c(F)c2)C1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine?
The InChIKey is MIGOFCQJGMQJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2S/c1-9-6-10(2)11(3)17(8-9)20(18,19)12-4-5-13(15)14(16)7-12/h4-5,7,9-11H,6,8H2,1-3H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine?
1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine has a molecular weight of 364.28 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine is sourced from PubChem (CID 107650396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).