1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole

C10H8Cl2N2O2S — CID 686065

IUPAC1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole
SMILESCc1cc(S(=O)(=O)n2ccnc2)c(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O2S/c1-7-4-10(9(12)5-8(7)11)17(15,16)14-3-2-13-6-14/h2-6H,1H3
InChIKeyAKBKEAZGWMSDAV-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.74
Rot. Bonds2

About 1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole

1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole (PubChem CID 686065) has the molecular formula C10H8Cl2N2O2S and a molecular weight of 291.16 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole
PubChem CID686065
Molecular FormulaC10H8Cl2N2O2S
Molecular Weight291.16 g/mol
Exact Mass289.97
IUPAC Name1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole
SMILESCc1cc(S(=O)(=O)n2ccnc2)c(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O2S/c1-7-4-10(9(12)5-8(7)11)17(15,16)14-3-2-13-6-14/h2-6H,1H3
InChIKeyAKBKEAZGWMSDAV-UHFFFAOYSA-N
XLogP2.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole?
The IUPAC name of 1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole (CID 686065) is 1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole?
The canonical SMILES for 1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole is Cc1cc(S(=O)(=O)n2ccnc2)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole?
The InChIKey is AKBKEAZGWMSDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S/c1-7-4-10(9(12)5-8(7)11)17(15,16)14-3-2-13-6-14/h2-6H,1H3.
What are the key properties of 1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole?
1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole has a molecular weight of 291.16 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methylphenyl)sulfonylimidazole is sourced from PubChem (CID 686065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).