1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol

C11H15FN2O3S — CID 28524129

IUPAC1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol
SMILESNc1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F
InChIInChI=1S/C11H15FN2O3S/c12-10-2-1-9(7-11(10)13)18(16,17)14-5-3-8(15)4-6-14/h1-2,7-8,15H,3-6,13H2
InChIKeyFKOGOQQPYDRHSF-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.55
Rot. Bonds2

About 1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol

1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol (PubChem CID 28524129) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol
PubChem CID28524129
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol
SMILESNc1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F
InChIInChI=1S/C11H15FN2O3S/c12-10-2-1-9(7-11(10)13)18(16,17)14-5-3-8(15)4-6-14/h1-2,7-8,15H,3-6,13H2
InChIKeyFKOGOQQPYDRHSF-UHFFFAOYSA-N
XLogP0.55
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol (CID 28524129) is 1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol is Nc1cc(S(=O)(=O)N2CCC(O)CC2)ccc1F.
What is the InChIKey of 1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol?
The InChIKey is FKOGOQQPYDRHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c12-10-2-1-9(7-11(10)13)18(16,17)14-5-3-8(15)4-6-14/h1-2,7-8,15H,3-6,13H2.
What are the key properties of 1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol?
1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol has a molecular weight of 274.32 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorophenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 28524129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).