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

C11H15FN2O3S — CID 43502779

IUPAC1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol
SMILESNc1cc(F)ccc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C11H15FN2O3S/c12-8-3-4-11(10(13)6-8)18(16,17)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7,13H2
InChIKeyBYADASUHSVUJCX-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.55
Rot. Bonds2

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

1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol (PubChem CID 43502779) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol
PubChem CID43502779
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol
SMILESNc1cc(F)ccc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C11H15FN2O3S/c12-8-3-4-11(10(13)6-8)18(16,17)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7,13H2
InChIKeyBYADASUHSVUJCX-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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Related Compounds

2-(Morpholine-4-sulfonyl)aniline
CID 1132819
4-Amino-n,n-bis(2-hydroxypropyl)benzenesulfonamide
CID 225106
2-[4-Fluoro-2-(5-oxa-8-azaspiro[3.5]nonan-8-ylsulfonyl)anilino]ethanol
CID 136574987
4-Fluoro-2-morpholin-4-ylsulfonylaniline
CID 54888975
4-Fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide
CID 69999082
1-[3-(4-Fluoroanilino)sulfanylphenyl]sulfonylazetidin-3-ol
CID 145601122
4-amino-3-fluoro-N-(2-hydroxyethyl)-N-prop-2-ynylbenzenesulfonamide
CID 177052266
1-(3-Amino-4-fluorophenyl)sulfonylpiperidin-4-ol
CID 28524129
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-5-fluoroaniline
CID 29275983
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluoroaniline
CID 29276629
1-(2-Amino-4-fluorophenyl)sulfonylpiperidin-4-ol
CID 29276831
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29289330

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol (CID 43502779) is 1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol is Nc1cc(F)ccc1S(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol?
The InChIKey is BYADASUHSVUJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c12-8-3-4-11(10(13)6-8)18(16,17)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7,13H2.
What are the key properties of 1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol?
1-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-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-(2-amino-4-fluorophenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 43502779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).