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

C10H11FN2O2S2 — CID 2148543

IUPAC1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2S2/c1-16-10-12-6-7-13(10)17(14,15)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKeyZJPMPSZVQZSRHQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.55
Rot. Bonds2

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

1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole (PubChem CID 2148543) has the molecular formula C10H11FN2O2S2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
PubChem CID2148543
Molecular FormulaC10H11FN2O2S2
Molecular Weight274.34 g/mol
Exact Mass274.02
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2S2/c1-16-10-12-6-7-13(10)17(14,15)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKeyZJPMPSZVQZSRHQ-UHFFFAOYSA-N
XLogP1.55
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylthio)-1-tosyl-4,5-dihydro-1H-imidazole
CID 731318
1-(Benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole
CID 2148549
4-fluoro-N-[3-methyl-1,3-thiazol-2(3H)-yliden]benzenesulfonamide
CID 16413990
1-(ethylsulfonyl)-2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazole
CID 2148575
1-Ethylsulfonyl-2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148588
1-((4-chlorophenyl)sulfonyl)-2-(methylthio)-4,5-dihydro-1H-imidazole
CID 731321
2-(methylthio)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148541
2-(ethylthio)-1-((4-fluorophenyl)sulfonyl)-4,5-dihydro-1H-imidazole
CID 2148553
2-((2-fluorobenzyl)thio)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazole
CID 1508781
2-(benzylthio)-1-((4-fluorophenyl)sulfonyl)-4,5-dihydro-1H-imidazole
CID 2148565
2-((3-fluorobenzyl)thio)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148577
2-((4-fluorobenzyl)thio)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148590

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole (CID 2148543) is 1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole is CSC1=NCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
The InChIKey is ZJPMPSZVQZSRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S2/c1-16-10-12-6-7-13(10)17(14,15)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole?
1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole has a molecular weight of 274.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-methylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).