1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole

C11H9F3N2O3S — CID 178035218

IUPAC1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole
SMILESCOc1ccc(S(=O)(=O)n2cnc(C(F)(F)F)c2)cc1
InChIInChI=1S/C11H9F3N2O3S/c1-19-8-2-4-9(5-3-8)20(17,18)16-6-10(15-7-16)11(12,13)14/h2-7H,1H3
InChIKeyYOLFUJLQRTZLMZ-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.15
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole

1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole (PubChem CID 178035218) has the molecular formula C11H9F3N2O3S and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole
PubChem CID178035218
Molecular FormulaC11H9F3N2O3S
Molecular Weight306.27 g/mol
Exact Mass306.03
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole
SMILESCOc1ccc(S(=O)(=O)n2cnc(C(F)(F)F)c2)cc1
InChIInChI=1S/C11H9F3N2O3S/c1-19-8-2-4-9(5-3-8)20(17,18)16-6-10(15-7-16)11(12,13)14/h2-7H,1H3
InChIKeyYOLFUJLQRTZLMZ-UHFFFAOYSA-N
XLogP2.15
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 801536
CID 801536
CID 44304550
CID 44304550
CID 741693
CID 741693
CID 775531
CID 775531
CID 804716
CID 804716
CID 6493482
CID 6493482
CID 6473542
CID 6473542
CID 786059
CID 786059
CID 1125097
CID 1125097
CID 6472672
CID 6472672
CID 44308672
CID 44308672
CID 44308792
CID 44308792

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole (CID 178035218) is 1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole is COc1ccc(S(=O)(=O)n2cnc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole?
The InChIKey is YOLFUJLQRTZLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S/c1-19-8-2-4-9(5-3-8)20(17,18)16-6-10(15-7-16)11(12,13)14/h2-7H,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole?
1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole has a molecular weight of 306.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 178035218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).