[5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol

C13H13NO3S — CID 54278662

IUPAC[5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cncc(CO)c2)cc1
InChIInChI=1S/C13H13NO3S/c1-18(16,17)13-4-2-11(3-5-13)12-6-10(9-15)7-14-8-12/h2-8,15H,9H2,1H3
InChIKeyRPFOHTLQZHEPTE-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.64
Rot. Bonds3

About [5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol

[5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol (PubChem CID 54278662) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is [5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol
PubChem CID54278662
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name[5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cncc(CO)c2)cc1
InChIInChI=1S/C13H13NO3S/c1-18(16,17)13-4-2-11(3-5-13)12-6-10(9-15)7-14-8-12/h2-8,15H,9H2,1H3
InChIKeyRPFOHTLQZHEPTE-UHFFFAOYSA-N
XLogP1.64
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol?
The IUPAC name of [5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol (CID 54278662) is [5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol is CS(=O)(=O)c1ccc(-c2cncc(CO)c2)cc1.
What is the InChIKey of [5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol?
The InChIKey is RPFOHTLQZHEPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-18(16,17)13-4-2-11(3-5-13)12-6-10(9-15)7-14-8-12/h2-8,15H,9H2,1H3.
What are the key properties of [5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol?
[5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol has a molecular weight of 263.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 54278662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).