2-benzylsulfonylpyridin-3-ol

C12H11NO3S — CID 501232

IUPAC2-benzylsulfonylpyridin-3-ol
SMILESO=S(=O)(Cc1ccccc1)c1ncccc1O
InChIInChI=1S/C12H11NO3S/c14-11-7-4-8-13-12(11)17(15,16)9-10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyOJRUJRDDZFCIEF-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.76
Rot. Bonds3

About 2-benzylsulfonylpyridin-3-ol

2-benzylsulfonylpyridin-3-ol (PubChem CID 501232) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-benzylsulfonylpyridin-3-ol.

Molecular Properties

Compound Name2-benzylsulfonylpyridin-3-ol
PubChem CID501232
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-benzylsulfonylpyridin-3-ol
SMILESO=S(=O)(Cc1ccccc1)c1ncccc1O
InChIInChI=1S/C12H11NO3S/c14-11-7-4-8-13-12(11)17(15,16)9-10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyOJRUJRDDZFCIEF-UHFFFAOYSA-N
XLogP1.76
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonylpyridin-3-ol?
The IUPAC name of 2-benzylsulfonylpyridin-3-ol (CID 501232) is 2-benzylsulfonylpyridin-3-ol.
What is the SMILES notation for 2-benzylsulfonylpyridin-3-ol?
The canonical SMILES for 2-benzylsulfonylpyridin-3-ol is O=S(=O)(Cc1ccccc1)c1ncccc1O.
What is the InChIKey of 2-benzylsulfonylpyridin-3-ol?
The InChIKey is OJRUJRDDZFCIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c14-11-7-4-8-13-12(11)17(15,16)9-10-5-2-1-3-6-10/h1-8,14H,9H2.
What are the key properties of 2-benzylsulfonylpyridin-3-ol?
2-benzylsulfonylpyridin-3-ol has a molecular weight of 249.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonylpyridin-3-ol is sourced from PubChem (CID 501232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).