1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole

C16H16N2O3S — CID 786095

IUPAC1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole
SMILESCCOc1ccc2cc(S(=O)(=O)n3ccnc3C)ccc2c1
InChIInChI=1S/C16H16N2O3S/c1-3-21-15-6-4-14-11-16(7-5-13(14)10-15)22(19,20)18-9-8-17-12(18)2/h4-11H,3H2,1-2H3
InChIKeyLNEWJKIHBLFKEB-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.98
Rot. Bonds4

About 1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole

1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole (PubChem CID 786095) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole.

Molecular Properties

Compound Name1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole
PubChem CID786095
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole
SMILESCCOc1ccc2cc(S(=O)(=O)n3ccnc3C)ccc2c1
InChIInChI=1S/C16H16N2O3S/c1-3-21-15-6-4-14-11-16(7-5-13(14)10-15)22(19,20)18-9-8-17-12(18)2/h4-11H,3H2,1-2H3
InChIKeyLNEWJKIHBLFKEB-UHFFFAOYSA-N
XLogP2.98
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole?
The IUPAC name of 1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole (CID 786095) is 1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole.
What is the SMILES notation for 1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole?
The canonical SMILES for 1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole is CCOc1ccc2cc(S(=O)(=O)n3ccnc3C)ccc2c1.
What is the InChIKey of 1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole?
The InChIKey is LNEWJKIHBLFKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-3-21-15-6-4-14-11-16(7-5-13(14)10-15)22(19,20)18-9-8-17-12(18)2/h4-11H,3H2,1-2H3.
What are the key properties of 1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole?
1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole has a molecular weight of 316.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxynaphthalen-2-yl)sulfonyl-2-methylimidazole is sourced from PubChem (CID 786095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).