4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole

C9H4Cl4N2O2S — CID 2778476

IUPAC4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)n1cnc(Cl)c1Cl
InChIInChI=1S/C9H4Cl4N2O2S/c10-6-2-1-5(3-7(6)11)18(16,17)15-4-14-8(12)9(15)13/h1-4H
InChIKeyMDIUNJNUBFLGMO-UHFFFAOYSA-N
MW346.02 g/mol
LogP3.73
Rot. Bonds2

About 4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole

4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole (PubChem CID 2778476) has the molecular formula C9H4Cl4N2O2S and a molecular weight of 346.02 g/mol. Its IUPAC name is 4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole
PubChem CID2778476
Molecular FormulaC9H4Cl4N2O2S
Molecular Weight346.02 g/mol
Exact Mass343.87
IUPAC Name4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)n1cnc(Cl)c1Cl
InChIInChI=1S/C9H4Cl4N2O2S/c10-6-2-1-5(3-7(6)11)18(16,17)15-4-14-8(12)9(15)13/h1-4H
InChIKeyMDIUNJNUBFLGMO-UHFFFAOYSA-N
XLogP3.73
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.02
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole?
The IUPAC name of 4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole (CID 2778476) is 4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole.
What is the SMILES notation for 4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole?
The canonical SMILES for 4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole is O=S(=O)(c1ccc(Cl)c(Cl)c1)n1cnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole?
The InChIKey is MDIUNJNUBFLGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl4N2O2S/c10-6-2-1-5(3-7(6)11)18(16,17)15-4-14-8(12)9(15)13/h1-4H.
What are the key properties of 4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole?
4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole has a molecular weight of 346.02 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(3,4-dichlorophenyl)sulfonylimidazole is sourced from PubChem (CID 2778476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).