1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole

C13H15BrN2O3S — CID 6457044

IUPAC1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole
SMILESCCCc1nccn1S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C13H15BrN2O3S/c1-3-4-13-15-7-8-16(13)20(17,18)12-9-10(14)5-6-11(12)19-2/h5-9H,3-4H2,1-2H3
InChIKeyYADITURSRUEXSV-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.84
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole

1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole (PubChem CID 6457044) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole
PubChem CID6457044
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole
SMILESCCCc1nccn1S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C13H15BrN2O3S/c1-3-4-13-15-7-8-16(13)20(17,18)12-9-10(14)5-6-11(12)19-2/h5-9H,3-4H2,1-2H3
InChIKeyYADITURSRUEXSV-UHFFFAOYSA-N
XLogP2.84
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole (CID 6457044) is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole is CCCc1nccn1S(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole?
The InChIKey is YADITURSRUEXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c1-3-4-13-15-7-8-16(13)20(17,18)12-9-10(14)5-6-11(12)19-2/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole?
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole has a molecular weight of 359.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-propylimidazole is sourced from PubChem (CID 6457044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).