1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine

C12H15BrFNO3S — CID 103697564

IUPAC1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine
SMILESCOC1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C12H15BrFNO3S/c1-18-9-3-2-6-15(8-9)19(16,17)10-4-5-11(13)12(14)7-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyOTQJDABLLFZVAG-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine

1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine (PubChem CID 103697564) has the molecular formula C12H15BrFNO3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine
PubChem CID103697564
Molecular FormulaC12H15BrFNO3S
Molecular Weight352.23 g/mol
Exact Mass350.99
IUPAC Name1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine
SMILESCOC1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C12H15BrFNO3S/c1-18-9-3-2-6-15(8-9)19(16,17)10-4-5-11(13)12(14)7-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyOTQJDABLLFZVAG-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715271
1-(4-bromo-3-fluorophenyl)sulfonylpiperidine-3-carbaldehyde
CID 107652875
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961329
2-bromo-4-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955323
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933
1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 103697553
1-[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]sulfonyl-3-methoxypiperidine
CID 163318377
[2-chloro-3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanamine
CID 102971844
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine (CID 103697564) is 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine is COC1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine?
The InChIKey is OTQJDABLLFZVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3S/c1-18-9-3-2-6-15(8-9)19(16,17)10-4-5-11(13)12(14)7-10/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine?
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine has a molecular weight of 352.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine is sourced from PubChem (CID 103697564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).