1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole

C16H15FN2O2S2 — CID 2148590

IUPAC1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESO=S(=O)(c1ccccc1)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2S2/c17-14-8-6-13(7-9-14)12-22-16-18-10-11-19(16)23(20,21)15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKeyGBHYTZCLPUDSEF-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.12
Rot. Bonds4

About 1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole

1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole (PubChem CID 2148590) has the molecular formula C16H15FN2O2S2 and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
PubChem CID2148590
Molecular FormulaC16H15FN2O2S2
Molecular Weight350.44 g/mol
Exact Mass350.06
IUPAC Name1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESO=S(=O)(c1ccccc1)N1CCN=C1SCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2S2/c17-14-8-6-13(7-9-14)12-22-16-18-10-11-19(16)23(20,21)15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKeyGBHYTZCLPUDSEF-UHFFFAOYSA-N
XLogP3.12
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole
CID 2148558
2-((4-fluorobenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148587
2-((4-fluorobenzyl)thio)-1-(propylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148589
1-Methylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole
CID 3398784
1-Ethylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole
CID 4322898
2-(methylthio)-1-tosyl-4,5-dihydro-1H-imidazole
CID 731318
2-(benzylthio)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148561
1-(4-Bromophenyl)sulfonyl-2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148580
2-((2-chloro-6-fluorobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole
CID 2148677
1-(Benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148724
1-((4-fluorophenyl)sulfonyl)-2-((1-phenylethyl)thio)-4,5-dihydro-1H-imidazole
CID 5227246
2-(benzylthio)-1-(ethylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148559

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole (CID 2148590) is 1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole is O=S(=O)(c1ccccc1)N1CCN=C1SCc1ccc(F)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole?
The InChIKey is GBHYTZCLPUDSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S2/c17-14-8-6-13(7-9-14)12-22-16-18-10-11-19(16)23(20,21)15-4-2-1-3-5-15/h1-9H,10-12H2.
What are the key properties of 1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole?
1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole has a molecular weight of 350.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole is sourced from PubChem (CID 2148590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).