4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole

C15H14N2O2S — CID 50876229

IUPAC4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole
SMILESCc1ccc2cc(S(=O)(=O)n3cnc(C)c3)ccc2c1
InChIInChI=1S/C15H14N2O2S/c1-11-3-4-14-8-15(6-5-13(14)7-11)20(18,19)17-9-12(2)16-10-17/h3-10H,1-2H3
InChIKeyXJVMEYYRWKHUEG-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.89
Rot. Bonds2

About 4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole

4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole (PubChem CID 50876229) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole.

Molecular Properties

Compound Name4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole
PubChem CID50876229
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole
SMILESCc1ccc2cc(S(=O)(=O)n3cnc(C)c3)ccc2c1
InChIInChI=1S/C15H14N2O2S/c1-11-3-4-14-8-15(6-5-13(14)7-11)20(18,19)17-9-12(2)16-10-17/h3-10H,1-2H3
InChIKeyXJVMEYYRWKHUEG-UHFFFAOYSA-N
XLogP2.89
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole?
The IUPAC name of 4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole (CID 50876229) is 4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole.
What is the SMILES notation for 4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole?
The canonical SMILES for 4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole is Cc1ccc2cc(S(=O)(=O)n3cnc(C)c3)ccc2c1.
What is the InChIKey of 4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole?
The InChIKey is XJVMEYYRWKHUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-3-4-14-8-15(6-5-13(14)7-11)20(18,19)17-9-12(2)16-10-17/h3-10H,1-2H3.
What are the key properties of 4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole?
4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole has a molecular weight of 286.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-methylnaphthalen-2-yl)sulfonylimidazole is sourced from PubChem (CID 50876229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).