4-(6-methylsulfonyl-3-pyridinyl)phenol

C12H11NO3S — CID 57457980

IUPAC4-(6-methylsulfonyl-3-pyridinyl)phenol
SMILESCS(=O)(=O)c1ccc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C12H11NO3S/c1-17(15,16)12-7-4-10(8-13-12)9-2-5-11(14)6-3-9/h2-8,14H,1H3
InChIKeyNISPECYFPUELQI-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.86
Rot. Bonds2

About 4-(6-methylsulfonyl-3-pyridinyl)phenol

4-(6-methylsulfonyl-3-pyridinyl)phenol (PubChem CID 57457980) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-(6-methylsulfonyl-3-pyridinyl)phenol.

Molecular Properties

Compound Name4-(6-methylsulfonyl-3-pyridinyl)phenol
PubChem CID57457980
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name4-(6-methylsulfonyl-3-pyridinyl)phenol
SMILESCS(=O)(=O)c1ccc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C12H11NO3S/c1-17(15,16)12-7-4-10(8-13-12)9-2-5-11(14)6-3-9/h2-8,14H,1H3
InChIKeyNISPECYFPUELQI-UHFFFAOYSA-N
XLogP1.86
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylsulfonyl-3-pyridinyl)phenol?
The IUPAC name of 4-(6-methylsulfonyl-3-pyridinyl)phenol (CID 57457980) is 4-(6-methylsulfonyl-3-pyridinyl)phenol.
What is the SMILES notation for 4-(6-methylsulfonyl-3-pyridinyl)phenol?
The canonical SMILES for 4-(6-methylsulfonyl-3-pyridinyl)phenol is CS(=O)(=O)c1ccc(-c2ccc(O)cc2)cn1.
What is the InChIKey of 4-(6-methylsulfonyl-3-pyridinyl)phenol?
The InChIKey is NISPECYFPUELQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-17(15,16)12-7-4-10(8-13-12)9-2-5-11(14)6-3-9/h2-8,14H,1H3.
What are the key properties of 4-(6-methylsulfonyl-3-pyridinyl)phenol?
4-(6-methylsulfonyl-3-pyridinyl)phenol has a molecular weight of 249.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylsulfonyl-3-pyridinyl)phenol is sourced from PubChem (CID 57457980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).