(2-methylsulfonylquinolin-6-yl)methanol

C11H11NO3S — CID 118665189

IUPAC(2-methylsulfonylquinolin-6-yl)methanol
SMILESCS(=O)(=O)c1ccc2cc(CO)ccc2n1
InChIInChI=1S/C11H11NO3S/c1-16(14,15)11-5-3-9-6-8(7-13)2-4-10(9)12-11/h2-6,13H,7H2,1H3
InChIKeySMOMCPGYPZXTEE-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.13
Rot. Bonds2

About (2-methylsulfonylquinolin-6-yl)methanol

(2-methylsulfonylquinolin-6-yl)methanol (PubChem CID 118665189) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is (2-methylsulfonylquinolin-6-yl)methanol.

Molecular Properties

Compound Name(2-methylsulfonylquinolin-6-yl)methanol
PubChem CID118665189
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name(2-methylsulfonylquinolin-6-yl)methanol
SMILESCS(=O)(=O)c1ccc2cc(CO)ccc2n1
InChIInChI=1S/C11H11NO3S/c1-16(14,15)11-5-3-9-6-8(7-13)2-4-10(9)12-11/h2-6,13H,7H2,1H3
InChIKeySMOMCPGYPZXTEE-UHFFFAOYSA-N
XLogP1.13
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfonylquinolin-6-yl)methanol?
The IUPAC name of (2-methylsulfonylquinolin-6-yl)methanol (CID 118665189) is (2-methylsulfonylquinolin-6-yl)methanol.
What is the SMILES notation for (2-methylsulfonylquinolin-6-yl)methanol?
The canonical SMILES for (2-methylsulfonylquinolin-6-yl)methanol is CS(=O)(=O)c1ccc2cc(CO)ccc2n1.
What is the InChIKey of (2-methylsulfonylquinolin-6-yl)methanol?
The InChIKey is SMOMCPGYPZXTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-16(14,15)11-5-3-9-6-8(7-13)2-4-10(9)12-11/h2-6,13H,7H2,1H3.
What are the key properties of (2-methylsulfonylquinolin-6-yl)methanol?
(2-methylsulfonylquinolin-6-yl)methanol has a molecular weight of 237.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfonylquinolin-6-yl)methanol is sourced from PubChem (CID 118665189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).