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

C23H17FN2O4S — CID 52947946

IUPAC[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17FN2O4S/c1-30-19-13-9-17(10-14-19)23-25-15-21(22(27)16-7-11-18(24)12-8-16)26(23)31(28,29)20-5-3-2-4-6-20/h2-15H,1H3
InChIKeyARUVAXDUNDDTMY-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.17
Rot. Bonds6

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

[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone (PubChem CID 52947946) has the molecular formula C23H17FN2O4S and a molecular weight of 436.46 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone
PubChem CID52947946
Molecular FormulaC23H17FN2O4S
Molecular Weight436.46 g/mol
Exact Mass436.09
IUPAC Name[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17FN2O4S/c1-30-19-13-9-17(10-14-19)23-25-15-21(22(27)16-7-11-18(24)12-8-16)26(23)31(28,29)20-5-3-2-4-6-20/h2-15H,1H3
InChIKeyARUVAXDUNDDTMY-UHFFFAOYSA-N
XLogP4.17
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone (CID 52947946) is [3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone is COc1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is ARUVAXDUNDDTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4S/c1-30-19-13-9-17(10-14-19)23-25-15-21(22(27)16-7-11-18(24)12-8-16)26(23)31(28,29)20-5-3-2-4-6-20/h2-15H,1H3.
What are the key properties of [3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone?
[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 436.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 52947946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).