1-[2-(trifluoromethylsulfonyl)phenyl]imidazole

C10H7F3N2O2S — CID 52855383

IUPAC1-[2-(trifluoromethylsulfonyl)phenyl]imidazole
SMILESO=S(=O)(c1ccccc1-n1ccnc1)C(F)(F)F
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)18(16,17)9-4-2-1-3-8(9)15-6-5-14-7-15/h1-7H
InChIKeyNWVAUJXTQVCNRI-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.17
Rot. Bonds2

About 1-[2-(trifluoromethylsulfonyl)phenyl]imidazole

1-[2-(trifluoromethylsulfonyl)phenyl]imidazole (PubChem CID 52855383) has the molecular formula C10H7F3N2O2S and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfonyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfonyl)phenyl]imidazole
PubChem CID52855383
Molecular FormulaC10H7F3N2O2S
Molecular Weight276.24 g/mol
Exact Mass276.02
IUPAC Name1-[2-(trifluoromethylsulfonyl)phenyl]imidazole
SMILESO=S(=O)(c1ccccc1-n1ccnc1)C(F)(F)F
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)18(16,17)9-4-2-1-3-8(9)15-6-5-14-7-15/h1-7H
InChIKeyNWVAUJXTQVCNRI-UHFFFAOYSA-N
XLogP2.17
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene;1-[2-[4-[2-(2,4-difluorophenyl)ethyl]phenyl]sulfonylphenyl]imidazole
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfonyl)phenyl]imidazole?
The IUPAC name of 1-[2-(trifluoromethylsulfonyl)phenyl]imidazole (CID 52855383) is 1-[2-(trifluoromethylsulfonyl)phenyl]imidazole.
What is the SMILES notation for 1-[2-(trifluoromethylsulfonyl)phenyl]imidazole?
The canonical SMILES for 1-[2-(trifluoromethylsulfonyl)phenyl]imidazole is O=S(=O)(c1ccccc1-n1ccnc1)C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethylsulfonyl)phenyl]imidazole?
The InChIKey is NWVAUJXTQVCNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S/c11-10(12,13)18(16,17)9-4-2-1-3-8(9)15-6-5-14-7-15/h1-7H.
What are the key properties of 1-[2-(trifluoromethylsulfonyl)phenyl]imidazole?
1-[2-(trifluoromethylsulfonyl)phenyl]imidazole has a molecular weight of 276.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfonyl)phenyl]imidazole is sourced from PubChem (CID 52855383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).