1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole

C14H18N2O3S — CID 6472907

IUPAC1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C14H18N2O3S/c1-14(2,3)11-5-6-12(19-4)13(9-11)20(17,18)16-8-7-15-10-16/h5-10H,1-4H3
InChIKeyMDMWGCPGXIVTEX-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.43
Rot. Bonds3

About 1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole

1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole (PubChem CID 6472907) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole
PubChem CID6472907
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C14H18N2O3S/c1-14(2,3)11-5-6-12(19-4)13(9-11)20(17,18)16-8-7-15-10-16/h5-10H,1-4H3
InChIKeyMDMWGCPGXIVTEX-UHFFFAOYSA-N
XLogP2.43
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole (CID 6472907) is 1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole is COc1ccc(C(C)(C)C)cc1S(=O)(=O)n1ccnc1.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole?
The InChIKey is MDMWGCPGXIVTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-14(2,3)11-5-6-12(19-4)13(9-11)20(17,18)16-8-7-15-10-16/h5-10H,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole?
1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole has a molecular weight of 294.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)sulfonylimidazole is sourced from PubChem (CID 6472907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).