1-(6-methoxynaphthalen-2-yl)sulfonylimidazole

C14H12N2O3S — CID 839429

IUPAC1-(6-methoxynaphthalen-2-yl)sulfonylimidazole
SMILESCOc1ccc2cc(S(=O)(=O)n3ccnc3)ccc2c1
InChIInChI=1S/C14H12N2O3S/c1-19-13-4-2-12-9-14(5-3-11(12)8-13)20(17,18)16-7-6-15-10-16/h2-10H,1H3
InChIKeyYJPWPEATGKMCOJ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.28
Rot. Bonds3

About 1-(6-methoxynaphthalen-2-yl)sulfonylimidazole

1-(6-methoxynaphthalen-2-yl)sulfonylimidazole (PubChem CID 839429) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)sulfonylimidazole.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)sulfonylimidazole
PubChem CID839429
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name1-(6-methoxynaphthalen-2-yl)sulfonylimidazole
SMILESCOc1ccc2cc(S(=O)(=O)n3ccnc3)ccc2c1
InChIInChI=1S/C14H12N2O3S/c1-19-13-4-2-12-9-14(5-3-11(12)8-13)20(17,18)16-7-6-15-10-16/h2-10H,1H3
InChIKeyYJPWPEATGKMCOJ-UHFFFAOYSA-N
XLogP2.28
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azane;1-(4-methylphenyl)sulfonylimidazole
CID 174813676
1-(3,4-dipropoxyphenyl)sulfonylimidazole
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CID 87610362
1-(3-methyl-4-propoxyphenyl)sulfonylimidazole
CID 6472325
7-methoxynaphthalene-2-sulfonyl chloride
CID 10515266
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 71781099
1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 90533550
4-imidazol-1-yl-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700031
(3,4,5-trimethoxyphenyl) imidazole-1-sulfonate
CID 131845669
1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole
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1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)sulfonylimidazole?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)sulfonylimidazole (CID 839429) is 1-(6-methoxynaphthalen-2-yl)sulfonylimidazole.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)sulfonylimidazole?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)sulfonylimidazole is COc1ccc2cc(S(=O)(=O)n3ccnc3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)sulfonylimidazole?
The InChIKey is YJPWPEATGKMCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-19-13-4-2-12-9-14(5-3-11(12)8-13)20(17,18)16-7-6-15-10-16/h2-10H,1H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)sulfonylimidazole?
1-(6-methoxynaphthalen-2-yl)sulfonylimidazole has a molecular weight of 288.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)sulfonylimidazole is sourced from PubChem (CID 839429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).