1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole

C11H14N2O2S2 — CID 2148549

IUPAC1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole
SMILESCCSC1=NCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2S2/c1-2-16-11-12-8-9-13(11)17(14,15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyIOZUMVUBRQQLIT-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.80
Rot. Bonds3

About 1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole

1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole (PubChem CID 2148549) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole
PubChem CID2148549
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole
SMILESCCSC1=NCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2S2/c1-2-16-11-12-8-9-13(11)17(14,15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyIOZUMVUBRQQLIT-UHFFFAOYSA-N
XLogP1.80
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole
CID 2148558
1-Ethylsulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole
CID 4322898
1-[(4-methylphenyl)sulfonyl]-2-(methylthio)-4,5-dihydro-1H-imidazole
CID 731318
N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(phenylsulfonyl)benzenesulfonamide
CID 648293
2-(benzylthio)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148561
1-(Benzenesulfonyl)-2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 2148724
2-(1-Azabut-3-enylidene)-5-methyl-3-(phenylsulfonyl)-1,3-thiazolidin-4-one
CID 2998776
2-(benzylthio)-1-(ethylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148559
2-[(Z)-Allylimino]-3-benzenesulfonyl-thiazolidin-4-one
CID 653159
1-((4-chlorophenyl)sulfonyl)-2-(methylthio)-4,5-dihydro-1H-imidazole
CID 731321
2-(methylthio)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148541
1-(4-fluorobenzenesulfonyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
CID 2148543

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole (CID 2148549) is 1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole is CCSC1=NCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole?
The InChIKey is IOZUMVUBRQQLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-2-16-11-12-8-9-13(11)17(14,15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole?
1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole has a molecular weight of 270.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-ethylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).