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

C23H17FN2O3S — CID 52949165

IUPAC[3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17FN2O3S/c1-16-7-9-18(10-8-16)23-25-15-21(22(27)17-11-13-19(24)14-12-17)26(23)30(28,29)20-5-3-2-4-6-20/h2-15H,1H3
InChIKeyKMKMFBAGCFKJPO-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.47
Rot. Bonds5

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

[3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone (PubChem CID 52949165) has the molecular formula C23H17FN2O3S and a molecular weight of 420.47 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone
PubChem CID52949165
Molecular FormulaC23H17FN2O3S
Molecular Weight420.47 g/mol
Exact Mass420.09
IUPAC Name[3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17FN2O3S/c1-16-7-9-18(10-8-16)23-25-15-21(22(27)17-11-13-19(24)14-12-17)26(23)30(28,29)20-5-3-2-4-6-20/h2-15H,1H3
InChIKeyKMKMFBAGCFKJPO-UHFFFAOYSA-N
XLogP4.47
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone (CID 52949165) is [3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone is Cc1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is KMKMFBAGCFKJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3S/c1-16-7-9-18(10-8-16)23-25-15-21(22(27)17-11-13-19(24)14-12-17)26(23)30(28,29)20-5-3-2-4-6-20/h2-15H,1H3.
What are the key properties of [3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone?
[3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 420.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 52949165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).