4-(4-bromophenyl)sulfonyl-4-fluoropiperidine

C11H13BrFNO2S — CID 69353674

IUPAC4-(4-bromophenyl)sulfonyl-4-fluoropiperidine
SMILESO=S(=O)(c1ccc(Br)cc1)C1(F)CCNCC1
InChIInChI=1S/C11H13BrFNO2S/c12-9-1-3-10(4-2-9)17(15,16)11(13)5-7-14-8-6-11/h1-4,14H,5-8H2
InChIKeyJGOLDSSXHLCPDU-UHFFFAOYSA-N
MW322.20 g/mol
LogP2.27
Rot. Bonds2

About 4-(4-bromophenyl)sulfonyl-4-fluoropiperidine

4-(4-bromophenyl)sulfonyl-4-fluoropiperidine (PubChem CID 69353674) has the molecular formula C11H13BrFNO2S and a molecular weight of 322.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-4-fluoropiperidine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-4-fluoropiperidine
PubChem CID69353674
Molecular FormulaC11H13BrFNO2S
Molecular Weight322.20 g/mol
Exact Mass320.98
IUPAC Name4-(4-bromophenyl)sulfonyl-4-fluoropiperidine
SMILESO=S(=O)(c1ccc(Br)cc1)C1(F)CCNCC1
InChIInChI=1S/C11H13BrFNO2S/c12-9-1-3-10(4-2-9)17(15,16)11(13)5-7-14-8-6-11/h1-4,14H,5-8H2
InChIKeyJGOLDSSXHLCPDU-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylic acid
CID 7131932
(1E,3E)-1,3-bis[(4-bromophenyl)methylidene]-7-azaspiro[3.5]nonan-2-one
CID 161376953
4-(4-bromophenyl)piperidine-4-carbonitrile;ethane
CID 144857874
3-(4-bromophenyl)sulfonylazetidine;hydrochloride
CID 72716316
N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide
CID 52669958
4-bromobenzenesulfonamide;ethane
CID 143929211
(4-fluoropiperidin-4-yl)methyl 4-methylbenzenesulfonate
CID 135152125
5-bromospiro[1,2-dihydroindene-3,4'-piperidine]
CID 83671316
barium(2+);bis(4-bromobenzenesulfonate)
CID 139842323
4-bromobenzenesulfonyl chloride
CID 174561770
1-(4-bromophenyl)-4-(4-fluorophenyl)sulfonylbenzene
CID 70397895
1-bromo-4-(difluoromethylsulfonyl)benzene
CID 19959949

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-4-fluoropiperidine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-4-fluoropiperidine (CID 69353674) is 4-(4-bromophenyl)sulfonyl-4-fluoropiperidine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-4-fluoropiperidine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-4-fluoropiperidine is O=S(=O)(c1ccc(Br)cc1)C1(F)CCNCC1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-4-fluoropiperidine?
The InChIKey is JGOLDSSXHLCPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2S/c12-9-1-3-10(4-2-9)17(15,16)11(13)5-7-14-8-6-11/h1-4,14H,5-8H2.
What are the key properties of 4-(4-bromophenyl)sulfonyl-4-fluoropiperidine?
4-(4-bromophenyl)sulfonyl-4-fluoropiperidine has a molecular weight of 322.20 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-4-fluoropiperidine is sourced from PubChem (CID 69353674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).