3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol

C15H17FN2O2S — CID 134222029

IUPAC3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol
SMILES[H]N=S(C)(=O)c1ccc(-c2ccc(C(O)CCF)cc2)cn1
InChIInChI=1S/C15H17FN2O2S/c1-21(17,20)15-7-6-13(10-18-15)11-2-4-12(5-3-11)14(19)8-9-16/h2-7,10,14,17,19H,8-9H2,1H3
InChIKeyQHHUBBMZLYSUTL-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.18
Rot. Bonds5

About 3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol

3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol (PubChem CID 134222029) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol
PubChem CID134222029
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol
SMILES[H]N=S(C)(=O)c1ccc(-c2ccc(C(O)CCF)cc2)cn1
InChIInChI=1S/C15H17FN2O2S/c1-21(17,20)15-7-6-13(10-18-15)11-2-4-12(5-3-11)14(19)8-9-16/h2-7,10,14,17,19H,8-9H2,1H3
InChIKeyQHHUBBMZLYSUTL-UHFFFAOYSA-N
XLogP3.18
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol?
The IUPAC name of 3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol (CID 134222029) is 3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol?
The canonical SMILES for 3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol is [H]N=S(C)(=O)c1ccc(-c2ccc(C(O)CCF)cc2)cn1.
What is the InChIKey of 3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol?
The InChIKey is QHHUBBMZLYSUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-21(17,20)15-7-6-13(10-18-15)11-2-4-12(5-3-11)14(19)8-9-16/h2-7,10,14,17,19H,8-9H2,1H3.
What are the key properties of 3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol?
3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol has a molecular weight of 308.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol is sourced from PubChem (CID 134222029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).