(2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol

C14H15NO4S — CID 685739

IUPAC(2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol
SMILESO=S(=O)(C[C@H](O)COc1ccccc1)c1ccccn1
InChIInChI=1S/C14H15NO4S/c16-12(10-19-13-6-2-1-3-7-13)11-20(17,18)14-8-4-5-9-15-14/h1-9,12,16H,10-11H2/t12-/m1/s1
InChIKeyAMZHYXDVUYXQRZ-GFCCVEGCSA-N
MW293.34 g/mol
LogP1.30
Rot. Bonds6

About (2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol

(2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol (PubChem CID 685739) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is (2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol
PubChem CID685739
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name(2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol
SMILESO=S(=O)(C[C@H](O)COc1ccccc1)c1ccccn1
InChIInChI=1S/C14H15NO4S/c16-12(10-19-13-6-2-1-3-7-13)11-20(17,18)14-8-4-5-9-15-14/h1-9,12,16H,10-11H2/t12-/m1/s1
InChIKeyAMZHYXDVUYXQRZ-GFCCVEGCSA-N
XLogP1.30
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-phenoxypropane-1-sulfonic acid
CID 10149155
2-[(2R)-2-phenylbutyl]sulfonylpyridine
CID 24898450
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
sodium (2-hydroxy-3-phenoxypropyl) sulfate
CID 101085810
1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
1-hydroxy-2-phenoxyethanesulfonic acid
CID 87253852
actinium;3-phenoxypropane-1,2-diol
CID 22981458
2-(chloromethylsulfonyl)pyridine
CID 54090294
2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine
CID 162539208
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol?
The IUPAC name of (2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol (CID 685739) is (2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol.
What is the SMILES notation for (2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol?
The canonical SMILES for (2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol is O=S(=O)(C[C@H](O)COc1ccccc1)c1ccccn1.
What is the InChIKey of (2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol?
The InChIKey is AMZHYXDVUYXQRZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15NO4S/c16-12(10-19-13-6-2-1-3-7-13)11-20(17,18)14-8-4-5-9-15-14/h1-9,12,16H,10-11H2/t12-/m1/s1.
What are the key properties of (2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol?
(2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol has a molecular weight of 293.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol is sourced from PubChem (CID 685739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).