2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol

C15H17NO3S — CID 501248

IUPAC2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol
SMILESCc1ccc(C)c(C(CO)S(=O)(=O)c2ccccn2)c1
InChIInChI=1S/C15H17NO3S/c1-11-6-7-12(2)13(9-11)14(10-17)20(18,19)15-5-3-4-8-16-15/h3-9,14,17H,10H2,1-2H3
InChIKeyIJPFUVFUSJGYFU-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.21
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol

2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol (PubChem CID 501248) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol
PubChem CID501248
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol
SMILESCc1ccc(C)c(C(CO)S(=O)(=O)c2ccccn2)c1
InChIInChI=1S/C15H17NO3S/c1-11-6-7-12(2)13(9-11)14(10-17)20(18,19)15-5-3-4-8-16-15/h3-9,14,17H,10H2,1-2H3
InChIKeyIJPFUVFUSJGYFU-UHFFFAOYSA-N
XLogP2.21
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol (CID 501248) is 2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol is Cc1ccc(C)c(C(CO)S(=O)(=O)c2ccccn2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol?
The InChIKey is IJPFUVFUSJGYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-6-7-12(2)13(9-11)14(10-17)20(18,19)15-5-3-4-8-16-15/h3-9,14,17H,10H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol?
2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol has a molecular weight of 291.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol is sourced from PubChem (CID 501248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).