1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole

C17H17ClN2O2S2 — CID 4686830

IUPAC1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole
SMILESCC(SC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H17ClN2O2S2/c1-13(14-5-3-2-4-6-14)23-17-19-11-12-20(17)24(21,22)16-9-7-15(18)8-10-16/h2-10,13H,11-12H2,1H3
InChIKeyXRJKAOVBPWYOQB-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.19
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole

1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole (PubChem CID 4686830) has the molecular formula C17H17ClN2O2S2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole
PubChem CID4686830
Molecular FormulaC17H17ClN2O2S2
Molecular Weight380.92 g/mol
Exact Mass380.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole
SMILESCC(SC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H17ClN2O2S2/c1-13(14-5-3-2-4-6-14)23-17-19-11-12-20(17)24(21,22)16-9-7-15(18)8-10-16/h2-10,13H,11-12H2,1H3
InChIKeyXRJKAOVBPWYOQB-UHFFFAOYSA-N
XLogP4.19
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole (CID 4686830) is 1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole is CC(SC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole?
The InChIKey is XRJKAOVBPWYOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S2/c1-13(14-5-3-2-4-6-14)23-17-19-11-12-20(17)24(21,22)16-9-7-15(18)8-10-16/h2-10,13H,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole?
1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole has a molecular weight of 380.92 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-(1-phenylethylsulfanyl)-4,5-dihydroimidazole is sourced from PubChem (CID 4686830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).