1-(2-ethoxy-5-methylphenyl)sulfonylimidazole

C12H14N2O3S — CID 1257840

IUPAC1-(2-ethoxy-5-methylphenyl)sulfonylimidazole
SMILESCCOc1ccc(C)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C12H14N2O3S/c1-3-17-11-5-4-10(2)8-12(11)18(15,16)14-7-6-13-9-14/h4-9H,3H2,1-2H3
InChIKeyFIHQUOKRDKOYJO-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.83
Rot. Bonds4

About 1-(2-ethoxy-5-methylphenyl)sulfonylimidazole

1-(2-ethoxy-5-methylphenyl)sulfonylimidazole (PubChem CID 1257840) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)sulfonylimidazole
PubChem CID1257840
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-(2-ethoxy-5-methylphenyl)sulfonylimidazole
SMILESCCOc1ccc(C)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C12H14N2O3S/c1-3-17-11-5-4-10(2)8-12(11)18(15,16)14-7-6-13-9-14/h4-9H,3H2,1-2H3
InChIKeyFIHQUOKRDKOYJO-UHFFFAOYSA-N
XLogP1.83
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)sulfonylimidazole?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)sulfonylimidazole (CID 1257840) is 1-(2-ethoxy-5-methylphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)sulfonylimidazole?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)sulfonylimidazole is CCOc1ccc(C)cc1S(=O)(=O)n1ccnc1.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)sulfonylimidazole?
The InChIKey is FIHQUOKRDKOYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-17-11-5-4-10(2)8-12(11)18(15,16)14-7-6-13-9-14/h4-9H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)sulfonylimidazole?
1-(2-ethoxy-5-methylphenyl)sulfonylimidazole has a molecular weight of 266.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)sulfonylimidazole is sourced from PubChem (CID 1257840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).