1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol

C11H13BrFNO3S — CID 45480002

IUPAC1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccc(Br)cc1F)N1CCC(O)CC1
InChIInChI=1S/C11H13BrFNO3S/c12-8-1-2-11(10(13)7-8)18(16,17)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6H2
InChIKeyXNQMCTORAMBISJ-UHFFFAOYSA-N
MW338.20 g/mol
LogP1.73
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol

1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol (PubChem CID 45480002) has the molecular formula C11H13BrFNO3S and a molecular weight of 338.20 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol
PubChem CID45480002
Molecular FormulaC11H13BrFNO3S
Molecular Weight338.20 g/mol
Exact Mass336.98
IUPAC Name1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccc(Br)cc1F)N1CCC(O)CC1
InChIInChI=1S/C11H13BrFNO3S/c12-8-1-2-11(10(13)7-8)18(16,17)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6H2
InChIKeyXNQMCTORAMBISJ-UHFFFAOYSA-N
XLogP1.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((4-Bromophenyl)sulfonyl)piperidine
CID 95051
2-[1-(4-Bromo-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 45480004
(3S)-1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 45480003
1-(4-Bromophenyl)sulfonylpyrrolidin-3-ol
CID 62918307
(3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 71967761
4-bromo-2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-methylbenzenesulfonamide
CID 97812750
1-(2-Fluorophenyl)sulfonylpiperidin-4-ol
CID 23740148
1-(4-Fluorophenylsulfonyl)piperidin-4-ol
CID 28345237
4-((4-Bromo-2-fluorophenyl)sulfonyl)morpholine
CID 53440012
4-((4-Bromo-3-fluorophenyl)sulfonyl)morpholine
CID 58198830
1-(2-Bromo-4,5-difluorophenyl)sulfonylpiperidin-4-ol
CID 58457190
1-(2-Bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 58457199

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol (CID 45480002) is 1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol is O=S(=O)(c1ccc(Br)cc1F)N1CCC(O)CC1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol?
The InChIKey is XNQMCTORAMBISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO3S/c12-8-1-2-11(10(13)7-8)18(16,17)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol?
1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol has a molecular weight of 338.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 45480002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).