2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole

C11H13FN2O2S2 — CID 2148553

IUPAC2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole
SMILESCCSC1=NCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O2S2/c1-2-17-11-13-7-8-14(11)18(15,16)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyRVWCMOAHHXUODX-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.94
Rot. Bonds3

About 2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole

2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole (PubChem CID 2148553) has the molecular formula C11H13FN2O2S2 and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole
PubChem CID2148553
Molecular FormulaC11H13FN2O2S2
Molecular Weight288.37 g/mol
Exact Mass288.04
IUPAC Name2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole
SMILESCCSC1=NCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O2S2/c1-2-17-11-13-7-8-14(11)18(15,16)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyRVWCMOAHHXUODX-UHFFFAOYSA-N
XLogP1.94
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 22335023
2-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
CID 2148578
1-(4-fluorophenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148839
1-ethylsulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 3526602
1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole
CID 2148737
1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole
CID 2148605
1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole
CID 53071989
1-(4-methoxyphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148840
1-ethylsulfonyl-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148722
4-[1-(4-ethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]morpholine
CID 53072028
N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
CID 53072053
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole (CID 2148553) is 2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole is CCSC1=NCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole?
The InChIKey is RVWCMOAHHXUODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S2/c1-2-17-11-13-7-8-14(11)18(15,16)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole?
2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole has a molecular weight of 288.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).