1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole

C14H17BrN2O3S — CID 1259448

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C14H17BrN2O3S/c1-5-14-16-10(3)8-17(14)21(18,19)13-7-11(15)9(2)6-12(13)20-4/h6-8H,5H2,1-4H3
InChIKeyFCKLFXHPQHJHKE-UHFFFAOYSA-N
MW373.27 g/mol
LogP3.07
Rot. Bonds4

About 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole

1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole (PubChem CID 1259448) has the molecular formula C14H17BrN2O3S and a molecular weight of 373.27 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole
PubChem CID1259448
Molecular FormulaC14H17BrN2O3S
Molecular Weight373.27 g/mol
Exact Mass372.01
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C14H17BrN2O3S/c1-5-14-16-10(3)8-17(14)21(18,19)13-7-11(15)9(2)6-12(13)20-4/h6-8H,5H2,1-4H3
InChIKeyFCKLFXHPQHJHKE-UHFFFAOYSA-N
XLogP3.07
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 53.07
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-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole (CID 1259448) is 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole is CCc1nc(C)cn1S(=O)(=O)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole?
The InChIKey is FCKLFXHPQHJHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3S/c1-5-14-16-10(3)8-17(14)21(18,19)13-7-11(15)9(2)6-12(13)20-4/h6-8H,5H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole?
1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole has a molecular weight of 373.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2-ethyl-4-methylimidazole is sourced from PubChem (CID 1259448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).