(1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol

C11H11FN4O3S — CID 126553351

IUPAC(1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol
SMILESC[C@@H]([C@@H](O)c1ncc(F)cn1)S(=O)(=O)c1ncccn1
InChIInChI=1S/C11H11FN4O3S/c1-7(9(17)10-15-5-8(12)6-16-10)20(18,19)11-13-3-2-4-14-11/h2-7,9,17H,1H3/t7-,9+/m0/s1
InChIKeySJLGLDVXPGHWNL-IONNQARKSA-N
MW298.30 g/mol
LogP0.30
Rot. Bonds4

About (1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol

(1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol (PubChem CID 126553351) has the molecular formula C11H11FN4O3S and a molecular weight of 298.30 g/mol. Its IUPAC name is (1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol
PubChem CID126553351
Molecular FormulaC11H11FN4O3S
Molecular Weight298.30 g/mol
Exact Mass298.05
IUPAC Name(1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol
SMILESC[C@@H]([C@@H](O)c1ncc(F)cn1)S(=O)(=O)c1ncccn1
InChIInChI=1S/C11H11FN4O3S/c1-7(9(17)10-15-5-8(12)6-16-10)20(18,19)11-13-3-2-4-14-11/h2-7,9,17H,1H3/t7-,9+/m0/s1
InChIKeySJLGLDVXPGHWNL-IONNQARKSA-N
XLogP0.30
TPSA105.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol?
The IUPAC name of (1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol (CID 126553351) is (1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol.
What is the SMILES notation for (1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol?
The canonical SMILES for (1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol is C[C@@H]([C@@H](O)c1ncc(F)cn1)S(=O)(=O)c1ncccn1.
What is the InChIKey of (1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol?
The InChIKey is SJLGLDVXPGHWNL-IONNQARKSA-N. The full InChI is InChI=1S/C11H11FN4O3S/c1-7(9(17)10-15-5-8(12)6-16-10)20(18,19)11-13-3-2-4-14-11/h2-7,9,17H,1H3/t7-,9+/m0/s1.
What are the key properties of (1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol?
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol has a molecular weight of 298.30 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol is sourced from PubChem (CID 126553351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).