2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol

C13H19FN2O3S — CID 63321689

IUPAC2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
SMILESNc1cc(F)cc(S(=O)(=O)N2CCCCC2CCO)c1
InChIInChI=1S/C13H19FN2O3S/c14-10-7-11(15)9-13(8-10)20(18,19)16-5-2-1-3-12(16)4-6-17/h7-9,12,17H,1-6,15H2
InChIKeyBSWUPYLTPLEUNC-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.33
Rot. Bonds4

About 2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol

2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol (PubChem CID 63321689) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
PubChem CID63321689
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
SMILESNc1cc(F)cc(S(=O)(=O)N2CCCCC2CCO)c1
InChIInChI=1S/C13H19FN2O3S/c14-10-7-11(15)9-13(8-10)20(18,19)16-5-2-1-3-12(16)4-6-17/h7-9,12,17H,1-6,15H2
InChIKeyBSWUPYLTPLEUNC-UHFFFAOYSA-N
XLogP1.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 63321960
[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574533
3-[1-(3-amino-5-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467367
2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol
CID 43104623
3-[1-(4-amino-2,6-difluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469509
ethyl 1-(3-amino-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 63322451
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 60957878
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291
2-(2-hydroxyethyl)piperidine-1-sulfonamide
CID 112689810
1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol
CID 11501806
3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469324

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol (CID 63321689) is 2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol is Nc1cc(F)cc(S(=O)(=O)N2CCCCC2CCO)c1.
What is the InChIKey of 2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
The InChIKey is BSWUPYLTPLEUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c14-10-7-11(15)9-13(8-10)20(18,19)16-5-2-1-3-12(16)4-6-17/h7-9,12,17H,1-6,15H2.
What are the key properties of 2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol has a molecular weight of 302.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol is sourced from PubChem (CID 63321689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).