1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole

C17H15F3N2O2S2 — CID 2148737

IUPAC1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole
SMILESO=S(=O)(c1ccccc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2S2/c18-17(19,20)14-6-4-5-13(11-14)12-25-16-21-9-10-22(16)26(23,24)15-7-2-1-3-8-15/h1-8,11H,9-10,12H2
InChIKeyCTWPYMRXVQMCRE-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.00
Rot. Bonds4

About 1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole

1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole (PubChem CID 2148737) has the molecular formula C17H15F3N2O2S2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole
PubChem CID2148737
Molecular FormulaC17H15F3N2O2S2
Molecular Weight400.45 g/mol
Exact Mass400.05
IUPAC Name1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole
SMILESO=S(=O)(c1ccccc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2S2/c18-17(19,20)14-6-4-5-13(11-14)12-25-16-21-9-10-22(16)26(23,24)15-7-2-1-3-8-15/h1-8,11H,9-10,12H2
InChIKeyCTWPYMRXVQMCRE-UHFFFAOYSA-N
XLogP4.00
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
CID 2148578
(4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4172307
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 4638818
2-naphthalen-2-yloxy-1-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 3633687
(3,4-diethoxyphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5176571
N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide
CID 30123931
[3,5-bis(trifluoromethyl)phenyl]-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5161843
3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 25334486
1-benzyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]tetrazole
CID 52529564
3-methyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 134097269
6-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 129278646
3-(2-phenylethyl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 17384031

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole (CID 2148737) is 1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole is O=S(=O)(c1ccccc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole?
The InChIKey is CTWPYMRXVQMCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2S2/c18-17(19,20)14-6-4-5-13(11-14)12-25-16-21-9-10-22(16)26(23,24)15-7-2-1-3-8-15/h1-8,11H,9-10,12H2.
What are the key properties of 1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole?
1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole has a molecular weight of 400.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole is sourced from PubChem (CID 2148737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).