1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole

C14H9F3N2O2S — CID 155548050

IUPAC1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)n1cnc2ccccc21
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)10-5-7-11(8-6-10)22(20,21)19-9-18-12-3-1-2-4-13(12)19/h1-9H
InChIKeyYEFFTGKUGPJPSF-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.29
Rot. Bonds2

About 1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole

1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole (PubChem CID 155548050) has the molecular formula C14H9F3N2O2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole
PubChem CID155548050
Molecular FormulaC14H9F3N2O2S
Molecular Weight326.30 g/mol
Exact Mass326.03
IUPAC Name1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)n1cnc2ccccc21
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)10-5-7-11(8-6-10)22(20,21)19-9-18-12-3-1-2-4-13(12)19/h1-9H
InChIKeyYEFFTGKUGPJPSF-UHFFFAOYSA-N
XLogP3.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole (CID 155548050) is 1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole is O=S(=O)(c1ccc(C(F)(F)F)cc1)n1cnc2ccccc21.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole?
The InChIKey is YEFFTGKUGPJPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S/c15-14(16,17)10-5-7-11(8-6-10)22(20,21)19-9-18-12-3-1-2-4-13(12)19/h1-9H.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole?
1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole has a molecular weight of 326.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole is sourced from PubChem (CID 155548050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).