1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole

C16H22N2O4S — CID 741693

IUPAC1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole
SMILESCCOc1ccc(OCC)c(S(=O)(=O)n2cc(C)nc2CC)c1
InChIInChI=1S/C16H22N2O4S/c1-5-16-17-12(4)11-18(16)23(19,20)15-10-13(21-6-2)8-9-14(15)22-7-3/h8-11H,5-7H2,1-4H3
InChIKeyOOMMMGNKXCQNLD-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.79
Rot. Bonds7

About 1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole

1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole (PubChem CID 741693) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole
PubChem CID741693
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole
SMILESCCOc1ccc(OCC)c(S(=O)(=O)n2cc(C)nc2CC)c1
InChIInChI=1S/C16H22N2O4S/c1-5-16-17-12(4)11-18(16)23(19,20)15-10-13(21-6-2)8-9-14(15)22-7-3/h8-11H,5-7H2,1-4H3
InChIKeyOOMMMGNKXCQNLD-UHFFFAOYSA-N
XLogP2.79
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole?
The IUPAC name of 1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole (CID 741693) is 1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole?
The canonical SMILES for 1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole is CCOc1ccc(OCC)c(S(=O)(=O)n2cc(C)nc2CC)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole?
The InChIKey is OOMMMGNKXCQNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-5-16-17-12(4)11-18(16)23(19,20)15-10-13(21-6-2)8-9-14(15)22-7-3/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole?
1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole has a molecular weight of 338.43 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)sulfonyl-2-ethyl-4-methylimidazole is sourced from PubChem (CID 741693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).