1-(4-bromo-3-methoxyphenyl)sulfonylimidazole

C10H9BrN2O3S — CID 7025619

IUPAC1-(4-bromo-3-methoxyphenyl)sulfonylimidazole
SMILESCOc1cc(S(=O)(=O)n2ccnc2)ccc1Br
InChIInChI=1S/C10H9BrN2O3S/c1-16-10-6-8(2-3-9(10)11)17(14,15)13-5-4-12-7-13/h2-7H,1H3
InChIKeyUOLJQRZWDKAYIJ-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.89
Rot. Bonds3

About 1-(4-bromo-3-methoxyphenyl)sulfonylimidazole

1-(4-bromo-3-methoxyphenyl)sulfonylimidazole (PubChem CID 7025619) has the molecular formula C10H9BrN2O3S and a molecular weight of 317.16 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)sulfonylimidazole
PubChem CID7025619
Molecular FormulaC10H9BrN2O3S
Molecular Weight317.16 g/mol
Exact Mass315.95
IUPAC Name1-(4-bromo-3-methoxyphenyl)sulfonylimidazole
SMILESCOc1cc(S(=O)(=O)n2ccnc2)ccc1Br
InChIInChI=1S/C10H9BrN2O3S/c1-16-10-6-8(2-3-9(10)11)17(14,15)13-5-4-12-7-13/h2-7H,1H3
InChIKeyUOLJQRZWDKAYIJ-UHFFFAOYSA-N
XLogP1.89
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)sulfonylimidazole?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)sulfonylimidazole (CID 7025619) is 1-(4-bromo-3-methoxyphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)sulfonylimidazole?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)sulfonylimidazole is COc1cc(S(=O)(=O)n2ccnc2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)sulfonylimidazole?
The InChIKey is UOLJQRZWDKAYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3S/c1-16-10-6-8(2-3-9(10)11)17(14,15)13-5-4-12-7-13/h2-7H,1H3.
What are the key properties of 1-(4-bromo-3-methoxyphenyl)sulfonylimidazole?
1-(4-bromo-3-methoxyphenyl)sulfonylimidazole has a molecular weight of 317.16 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)sulfonylimidazole is sourced from PubChem (CID 7025619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).