1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide

C8H11FN2O3S — CID 122702765

IUPAC1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
SMILESCC(C(O)c1ccc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C8H11FN2O3S/c1-5(15(10,13)14)8(12)7-3-2-6(9)4-11-7/h2-5,8,12H,1H3,(H2,10,13,14)
InChIKeyXMPAJYMSBOXGGK-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.07
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide

1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide (PubChem CID 122702765) has the molecular formula C8H11FN2O3S and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
PubChem CID122702765
Molecular FormulaC8H11FN2O3S
Molecular Weight234.25 g/mol
Exact Mass234.05
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
SMILESCC(C(O)c1ccc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C8H11FN2O3S/c1-5(15(10,13)14)8(12)7-3-2-6(9)4-11-7/h2-5,8,12H,1H3,(H2,10,13,14)
InChIKeyXMPAJYMSBOXGGK-UHFFFAOYSA-N
XLogP-0.07
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide (CID 122702765) is 1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide is CC(C(O)c1ccc(F)cn1)S(N)(=O)=O.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
The InChIKey is XMPAJYMSBOXGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3S/c1-5(15(10,13)14)8(12)7-3-2-6(9)4-11-7/h2-5,8,12H,1H3,(H2,10,13,14).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide has a molecular weight of 234.25 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide is sourced from PubChem (CID 122702765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).