1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole

C11H11ClN2O2S — CID 94696998

IUPAC1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
SMILESCS(=O)(=O)c1nccn1Cc1ccccc1Cl
InChIInChI=1S/C11H11ClN2O2S/c1-17(15,16)11-13-6-7-14(11)8-9-4-2-3-5-10(9)12/h2-7H,8H2,1H3
InChIKeyCKCKNVQCVGESAM-UHFFFAOYSA-N
MW270.74 g/mol
LogP1.99
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole

1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole (PubChem CID 94696998) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
PubChem CID94696998
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
SMILESCS(=O)(=O)c1nccn1Cc1ccccc1Cl
InChIInChI=1S/C11H11ClN2O2S/c1-17(15,16)11-13-6-7-14(11)8-9-4-2-3-5-10(9)12/h2-7H,8H2,1H3
InChIKeyCKCKNVQCVGESAM-UHFFFAOYSA-N
XLogP1.99
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole (CID 94696998) is 1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole is CS(=O)(=O)c1nccn1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole?
The InChIKey is CKCKNVQCVGESAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-17(15,16)11-13-6-7-14(11)8-9-4-2-3-5-10(9)12/h2-7H,8H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole?
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole has a molecular weight of 270.74 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole is sourced from PubChem (CID 94696998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).