1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole

C17H16N2O3S — CID 110537183

IUPAC1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
SMILESCCOc1ccc(-c2nccn2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O3S/c1-2-22-15-10-8-14(9-11-15)17-18-12-13-19(17)23(20,21)16-6-4-3-5-7-16/h3-13H,2H2,1H3
InChIKeyMIGYYPDICLCGTB-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.19
Rot. Bonds5

About 1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole

1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole (PubChem CID 110537183) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
PubChem CID110537183
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
SMILESCCOc1ccc(-c2nccn2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O3S/c1-2-22-15-10-8-14(9-11-15)17-18-12-13-19(17)23(20,21)16-6-4-3-5-7-16/h3-13H,2H2,1H3
InChIKeyMIGYYPDICLCGTB-UHFFFAOYSA-N
XLogP3.19
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
CID 110536342
1-(benzenesulfonyl)-2-[4-(3-phenylpropoxy)phenyl]imidazole
CID 110531347
1-(benzenesulfonyl)-2-(4-ethoxy-3-nitrophenyl)imidazole
CID 110534191
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
CID 110534917
1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole
CID 110531048
1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 972343
2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole
CID 56871314
ethoxybenzene chloride
CID 21193593

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole (CID 110537183) is 1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole is CCOc1ccc(-c2nccn2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole?
The InChIKey is MIGYYPDICLCGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-2-22-15-10-8-14(9-11-15)17-18-12-13-19(17)23(20,21)16-6-4-3-5-7-16/h3-13H,2H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole?
1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole has a molecular weight of 328.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole is sourced from PubChem (CID 110537183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).