[3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone

C23H14F4N2O3S — CID 52943097

IUPAC[3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cnc(-c2ccccc2C(F)(F)F)n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H14F4N2O3S/c24-16-12-10-15(11-13-16)21(30)20-14-28-22(18-8-4-5-9-19(18)23(25,26)27)29(20)33(31,32)17-6-2-1-3-7-17/h1-14H
InChIKeyYFBVMQJDPPEBCZ-UHFFFAOYSA-N
MW474.44 g/mol
LogP5.18
Rot. Bonds5

About [3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone

[3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone (PubChem CID 52943097) has the molecular formula C23H14F4N2O3S and a molecular weight of 474.44 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone
PubChem CID52943097
Molecular FormulaC23H14F4N2O3S
Molecular Weight474.44 g/mol
Exact Mass474.07
IUPAC Name[3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cnc(-c2ccccc2C(F)(F)F)n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H14F4N2O3S/c24-16-12-10-15(11-13-16)21(30)20-14-28-22(18-8-4-5-9-19(18)23(25,26)27)29(20)33(31,32)17-6-2-1-3-7-17/h1-14H
InChIKeyYFBVMQJDPPEBCZ-UHFFFAOYSA-N
XLogP5.18
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.44
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone (CID 52943097) is [3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1cnc(-c2ccccc2C(F)(F)F)n1S(=O)(=O)c1ccccc1.
What is the InChIKey of [3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is YFBVMQJDPPEBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N2O3S/c24-16-12-10-15(11-13-16)21(30)20-14-28-22(18-8-4-5-9-19(18)23(25,26)27)29(20)33(31,32)17-6-2-1-3-7-17/h1-14H.
What are the key properties of [3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone?
[3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 474.44 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 52943097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).