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

C8H11FN2O3S — CID 122701920

IUPAC(1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
SMILESC[C@@H]([C@@H](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)/t5-,8+/m0/s1
InChIKeyXMPAJYMSBOXGGK-YLWLKBPMSA-N
MW234.25 g/mol
LogP-0.07
Rot. Bonds3

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

(1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide (PubChem CID 122701920) has the molecular formula C8H11FN2O3S and a molecular weight of 234.25 g/mol. Its IUPAC name is (1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide.

Molecular Properties

Compound Name(1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
PubChem CID122701920
Molecular FormulaC8H11FN2O3S
Molecular Weight234.25 g/mol
Exact Mass234.05
IUPAC Name(1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
SMILESC[C@@H]([C@@H](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)/t5-,8+/m0/s1
InChIKeyXMPAJYMSBOXGGK-YLWLKBPMSA-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 (1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
The IUPAC name of (1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide (CID 122701920) is (1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide.
What is the SMILES notation for (1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
The canonical SMILES for (1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide is C[C@@H]([C@@H](O)c1ccc(F)cn1)S(N)(=O)=O.
What is the InChIKey of (1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
The InChIKey is XMPAJYMSBOXGGK-YLWLKBPMSA-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)/t5-,8+/m0/s1.
What are the key properties of (1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
(1S,2S)-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 (1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide is sourced from PubChem (CID 122701920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).