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

C22H15FN2O3S — CID 52946748

IUPAC[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cnc(-c2ccccc2)n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H15FN2O3S/c23-18-11-7-10-17(14-18)21(26)20-15-24-22(16-8-3-1-4-9-16)25(20)29(27,28)19-12-5-2-6-13-19/h1-15H
InChIKeyUGTCMJXBMQTROU-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.16
Rot. Bonds5

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

[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone (PubChem CID 52946748) has the molecular formula C22H15FN2O3S and a molecular weight of 406.44 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone
PubChem CID52946748
Molecular FormulaC22H15FN2O3S
Molecular Weight406.44 g/mol
Exact Mass406.08
IUPAC Name[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cnc(-c2ccccc2)n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H15FN2O3S/c23-18-11-7-10-17(14-18)21(26)20-15-24-22(16-8-3-1-4-9-16)25(20)29(27,28)19-12-5-2-6-13-19/h1-15H
InChIKeyUGTCMJXBMQTROU-UHFFFAOYSA-N
XLogP4.16
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone
CID 52944308
1-(benzenesulfonyl)-2-(3-fluorobenzoyl)indole-4,7-dione
CID 11338805
(2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone
CID 105079847
1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine
CID 68951720
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
[1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone
CID 102530355
(3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
CID 10544535
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 4820420
[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone
CID 56955530
2-[2-(3-fluorobenzoyl)pyrrol-1-yl]acetic acid
CID 53212675
[5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone
CID 67361665

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone (CID 52946748) is [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)c1cnc(-c2ccccc2)n1S(=O)(=O)c1ccccc1.
What is the InChIKey of [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone?
The InChIKey is UGTCMJXBMQTROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O3S/c23-18-11-7-10-17(14-18)21(26)20-15-24-22(16-8-3-1-4-9-16)25(20)29(27,28)19-12-5-2-6-13-19/h1-15H.
What are the key properties of [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone?
[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone has a molecular weight of 406.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 52946748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).