2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole

C16H16N2O3S — CID 846977

IUPAC2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole
SMILESCCc1nccn1S(=O)(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C16H16N2O3S/c1-3-16-17-10-11-18(16)22(19,20)15-9-8-14(21-2)12-6-4-5-7-13(12)15/h4-11H,3H2,1-2H3
InChIKeyNHRRDQCWPYCOAU-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.84
Rot. Bonds4

About 2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole

2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole (PubChem CID 846977) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole
PubChem CID846977
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole
SMILESCCc1nccn1S(=O)(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C16H16N2O3S/c1-3-16-17-10-11-18(16)22(19,20)15-9-8-14(21-2)12-6-4-5-7-13(12)15/h4-11H,3H2,1-2H3
InChIKeyNHRRDQCWPYCOAU-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole?
The IUPAC name of 2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole (CID 846977) is 2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole.
What is the SMILES notation for 2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole?
The canonical SMILES for 2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole is CCc1nccn1S(=O)(=O)c1ccc(OC)c2ccccc12.
What is the InChIKey of 2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole?
The InChIKey is NHRRDQCWPYCOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-3-16-17-10-11-18(16)22(19,20)15-9-8-14(21-2)12-6-4-5-7-13(12)15/h4-11H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole?
2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole has a molecular weight of 316.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxynaphthalen-1-yl)sulfonylimidazole is sourced from PubChem (CID 846977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).