1-(2,4-dichlorophenyl)sulfonylimidazole

C9H6Cl2N2O2S — CID 4914608

IUPAC1-(2,4-dichlorophenyl)sulfonylimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C9H6Cl2N2O2S/c10-7-1-2-9(8(11)5-7)16(14,15)13-4-3-12-6-13/h1-6H
InChIKeyXBDFBMZLMXINKV-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.43
Rot. Bonds2

About 1-(2,4-dichlorophenyl)sulfonylimidazole

1-(2,4-dichlorophenyl)sulfonylimidazole (PubChem CID 4914608) has the molecular formula C9H6Cl2N2O2S and a molecular weight of 277.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)sulfonylimidazole
PubChem CID4914608
Molecular FormulaC9H6Cl2N2O2S
Molecular Weight277.13 g/mol
Exact Mass275.95
IUPAC Name1-(2,4-dichlorophenyl)sulfonylimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C9H6Cl2N2O2S/c10-7-1-2-9(8(11)5-7)16(14,15)13-4-3-12-6-13/h1-6H
InChIKeyXBDFBMZLMXINKV-UHFFFAOYSA-N
XLogP2.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)sulfonylimidazole?
The IUPAC name of 1-(2,4-dichlorophenyl)sulfonylimidazole (CID 4914608) is 1-(2,4-dichlorophenyl)sulfonylimidazole.
What is the SMILES notation for 1-(2,4-dichlorophenyl)sulfonylimidazole?
The canonical SMILES for 1-(2,4-dichlorophenyl)sulfonylimidazole is O=S(=O)(c1ccc(Cl)cc1Cl)n1ccnc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)sulfonylimidazole?
The InChIKey is XBDFBMZLMXINKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O2S/c10-7-1-2-9(8(11)5-7)16(14,15)13-4-3-12-6-13/h1-6H.
What are the key properties of 1-(2,4-dichlorophenyl)sulfonylimidazole?
1-(2,4-dichlorophenyl)sulfonylimidazole has a molecular weight of 277.13 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)sulfonylimidazole is sourced from PubChem (CID 4914608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).