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

C12H16BrFN2O3S — CID 102955140

IUPAC1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)c2cc(N)c(Br)cc2F)CC1O
InChIInChI=1S/C12H16BrFN2O3S/c1-7-2-3-16(6-11(7)17)20(18,19)12-5-10(15)8(13)4-9(12)14/h4-5,7,11,17H,2-3,6,15H2,1H3
InChIKeyYJGKAAZTSGTHFZ-UHFFFAOYSA-N
MW367.24 g/mol
LogP1.56
Rot. Bonds2

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

1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol (PubChem CID 102955140) has the molecular formula C12H16BrFN2O3S and a molecular weight of 367.24 g/mol. Its IUPAC name is 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol
PubChem CID102955140
Molecular FormulaC12H16BrFN2O3S
Molecular Weight367.24 g/mol
Exact Mass366.00
IUPAC Name1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)c2cc(N)c(Br)cc2F)CC1O
InChIInChI=1S/C12H16BrFN2O3S/c1-7-2-3-16(6-11(7)17)20(18,19)12-5-10(15)8(13)4-9(12)14/h4-5,7,11,17H,2-3,6,15H2,1H3
InChIKeyYJGKAAZTSGTHFZ-UHFFFAOYSA-N
XLogP1.56
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol?
The IUPAC name of 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol (CID 102955140) is 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol is CC1CCN(S(=O)(=O)c2cc(N)c(Br)cc2F)CC1O.
What is the InChIKey of 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol?
The InChIKey is YJGKAAZTSGTHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O3S/c1-7-2-3-16(6-11(7)17)20(18,19)12-5-10(15)8(13)4-9(12)14/h4-5,7,11,17H,2-3,6,15H2,1H3.
What are the key properties of 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol?
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol has a molecular weight of 367.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol is sourced from PubChem (CID 102955140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).