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

C15H17FN2O2S — CID 134222063

IUPAC(1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol
SMILES[H]N=S(C)(=O)c1ccc(-c2ccc([C@@H](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/t14-,21?/m0/s1
InChIKeyQHHUBBMZLYSUTL-YXWRBFHGSA-N
MW308.38 g/mol
LogP3.18
Rot. Bonds5

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

(1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol (PubChem CID 134222063) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is (1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol
PubChem CID134222063
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name(1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol
SMILES[H]N=S(C)(=O)c1ccc(-c2ccc([C@@H](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/t14-,21?/m0/s1
InChIKeyQHHUBBMZLYSUTL-YXWRBFHGSA-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

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol?
The IUPAC name of (1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol (CID 134222063) is (1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol?
The canonical SMILES for (1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol is [H]N=S(C)(=O)c1ccc(-c2ccc([C@@H](O)CCF)cc2)cn1.
What is the InChIKey of (1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol?
The InChIKey is QHHUBBMZLYSUTL-YXWRBFHGSA-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/t14-,21?/m0/s1.
What are the key properties of (1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol?
(1S)-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 (1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)-3-pyridinyl]phenyl]propan-1-ol is sourced from PubChem (CID 134222063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).