1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol

C11H14BrFN2O3S — CID 106491404

IUPAC1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C11H14BrFN2O3S/c12-8-4-11(10(14)5-9(8)13)19(17,18)15-3-1-2-7(16)6-15/h4-5,7,16H,1-3,6,14H2
InChIKeyKTAIZIDHULZFIF-UHFFFAOYSA-N
MW353.21 g/mol
LogP1.32
Rot. Bonds2

About 1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol

1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol (PubChem CID 106491404) has the molecular formula C11H14BrFN2O3S and a molecular weight of 353.21 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol
PubChem CID106491404
Molecular FormulaC11H14BrFN2O3S
Molecular Weight353.21 g/mol
Exact Mass351.99
IUPAC Name1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C11H14BrFN2O3S/c12-8-4-11(10(14)5-9(8)13)19(17,18)15-3-1-2-7(16)6-15/h4-5,7,16H,1-3,6,14H2
InChIKeyKTAIZIDHULZFIF-UHFFFAOYSA-N
XLogP1.32
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869
4-bromo-2-(3,4-dimethylpiperazin-1-yl)sulfonyl-5-fluoroaniline
CID 106491777
4-bromo-2-(3-ethylpyrrolidin-1-yl)sulfonyl-5-fluoroaniline
CID 106492036
1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55021128
4-bromo-5-fluoro-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 106492202
(3S)-1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-3-amine
CID 166174792
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971
1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol
CID 43502745
(3S)-1-(3-amino-4-bromophenyl)sulfonylpiperidin-3-ol
CID 107213789
1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 106491455
3-amino-4-(3-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 81470671
1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 65020834

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol (CID 106491404) is 1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol is Nc1cc(F)c(Br)cc1S(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol?
The InChIKey is KTAIZIDHULZFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O3S/c12-8-4-11(10(14)5-9(8)13)19(17,18)15-3-1-2-7(16)6-15/h4-5,7,16H,1-3,6,14H2.
What are the key properties of 1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol?
1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol has a molecular weight of 353.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 106491404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).