1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole

C12H12Cl2N2O2S — CID 6457141

IUPAC1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1cc(Cl)c(Cl)cc1C
InChIInChI=1S/C12H12Cl2N2O2S/c1-3-12-15-4-5-16(12)19(17,18)11-7-10(14)9(13)6-8(11)2/h4-7H,3H2,1-2H3
InChIKeyDFUCBQDLKFBKME-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.30
Rot. Bonds3

About 1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole

1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole (PubChem CID 6457141) has the molecular formula C12H12Cl2N2O2S and a molecular weight of 319.21 g/mol. Its IUPAC name is 1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole.

Molecular Properties

Compound Name1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole
PubChem CID6457141
Molecular FormulaC12H12Cl2N2O2S
Molecular Weight319.21 g/mol
Exact Mass318.00
IUPAC Name1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1cc(Cl)c(Cl)cc1C
InChIInChI=1S/C12H12Cl2N2O2S/c1-3-12-15-4-5-16(12)19(17,18)11-7-10(14)9(13)6-8(11)2/h4-7H,3H2,1-2H3
InChIKeyDFUCBQDLKFBKME-UHFFFAOYSA-N
XLogP3.30
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole?
The IUPAC name of 1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole (CID 6457141) is 1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole.
What is the SMILES notation for 1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole?
The canonical SMILES for 1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole is CCc1nccn1S(=O)(=O)c1cc(Cl)c(Cl)cc1C.
What is the InChIKey of 1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole?
The InChIKey is DFUCBQDLKFBKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S/c1-3-12-15-4-5-16(12)19(17,18)11-7-10(14)9(13)6-8(11)2/h4-7H,3H2,1-2H3.
What are the key properties of 1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole?
1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole has a molecular weight of 319.21 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dichloro-2-methylphenyl)sulfonyl-2-ethylimidazole is sourced from PubChem (CID 6457141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).