[1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol

C11H12N2O3S — CID 11528946

IUPAC[1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2cnc(CO)c2)cc1
InChIInChI=1S/C11H12N2O3S/c1-9-2-4-11(5-3-9)17(15,16)13-6-10(7-14)12-8-13/h2-6,8,14H,7H2,1H3
InChIKeyLJKGYZKXYOOYLW-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.92
Rot. Bonds3

About [1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol

[1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol (PubChem CID 11528946) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol
PubChem CID11528946
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name[1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2cnc(CO)c2)cc1
InChIInChI=1S/C11H12N2O3S/c1-9-2-4-11(5-3-9)17(15,16)13-6-10(7-14)12-8-13/h2-6,8,14H,7H2,1H3
InChIKeyLJKGYZKXYOOYLW-UHFFFAOYSA-N
XLogP0.92
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol?
The IUPAC name of [1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol (CID 11528946) is [1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol?
The canonical SMILES for [1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol is Cc1ccc(S(=O)(=O)n2cnc(CO)c2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol?
The InChIKey is LJKGYZKXYOOYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-9-2-4-11(5-3-9)17(15,16)13-6-10(7-14)12-8-13/h2-6,8,14H,7H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol?
[1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol has a molecular weight of 252.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol is sourced from PubChem (CID 11528946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).