[3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone

C24H19FN2O5S — CID 52944308

IUPAC[3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H19FN2O5S/c1-31-21-13-10-17(14-22(21)32-2)24-26-15-20(23(28)16-8-11-18(25)12-9-16)27(24)33(29,30)19-6-4-3-5-7-19/h3-15H,1-2H3
InChIKeyWDDHNDNSIXBABE-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.17
Rot. Bonds7

About [3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone

[3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone (PubChem CID 52944308) has the molecular formula C24H19FN2O5S and a molecular weight of 466.49 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone
PubChem CID52944308
Molecular FormulaC24H19FN2O5S
Molecular Weight466.49 g/mol
Exact Mass466.10
IUPAC Name[3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H19FN2O5S/c1-31-21-13-10-17(14-22(21)32-2)24-26-15-20(23(28)16-8-11-18(25)12-9-16)27(24)33(29,30)19-6-4-3-5-7-19/h3-15H,1-2H3
InChIKeyWDDHNDNSIXBABE-UHFFFAOYSA-N
XLogP4.17
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone (CID 52944308) is [3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone is COc1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of [3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is WDDHNDNSIXBABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O5S/c1-31-21-13-10-17(14-22(21)32-2)24-26-15-20(23(28)16-8-11-18(25)12-9-16)27(24)33(29,30)19-6-4-3-5-7-19/h3-15H,1-2H3.
What are the key properties of [3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone?
[3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 466.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 52944308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).