4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine

C12H15BrFNO2S — CID 18723206

IUPAC4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(F)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H15BrFNO2S/c1-18(16,17)15-8-6-12(14,7-9-15)10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3
InChIKeyXAFJUOVFHSCRHP-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.67
Rot. Bonds2

About 4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine

4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine (PubChem CID 18723206) has the molecular formula C12H15BrFNO2S and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine
PubChem CID18723206
Molecular FormulaC12H15BrFNO2S
Molecular Weight336.23 g/mol
Exact Mass335.00
IUPAC Name4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(F)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H15BrFNO2S/c1-18(16,17)15-8-6-12(14,7-9-15)10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3
InChIKeyXAFJUOVFHSCRHP-UHFFFAOYSA-N
XLogP2.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperidine
CID 71699305
N-[(4-bromophenyl)methyl]-N-methylmethanesulfonamide
CID 60681431
4-(4-Fluoro-phenyl)-1-methanesulfonyl-piperidine
CID 23133545
4-(4-Bromophenyl)piperidine-1-sulfonyl chloride
CID 167737598
(2R)-4-(4-bromophenyl)-5-cyclohexylidene-2-ethyl-3-methyl-1-(trifluoromethylsulfonyl)-2,6-dihydropyridine
CID 162416579
4-[(4-Bromophenyl)methyl]-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine
CID 177855976
1-(4-Bromo-benzyl)-4-methanesulfonyl-piperazine
CID 787149
1-((4-Bromobenzyl)sulfonyl)piperidine
CID 17741344
N-[(4-bromo-3-fluorophenyl)methyl]-N-ethylmethanesulfonamide
CID 72106149
4-(2-Fluorophenyl)-1-methylsulfonylpiperidine
CID 95833456
Methyl 2-[4-(4-bromophenyl)-4-fluoropiperidin-1-yl]sulfonylacetate
CID 18723290
1-(4-Bromo-2-fluoro-benzyl)-4-methanesulfonyl-piperazine
CID 47122093

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine?
The IUPAC name of 4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine (CID 18723206) is 4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine?
The canonical SMILES for 4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(F)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine?
The InChIKey is XAFJUOVFHSCRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2S/c1-18(16,17)15-8-6-12(14,7-9-15)10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3.
What are the key properties of 4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine?
4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine has a molecular weight of 336.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-4-fluoro-1-methylsulfonylpiperidine is sourced from PubChem (CID 18723206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).