1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole

C12H14Cl2N2O3S — CID 2990942

IUPAC1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCCOc1cc(Cl)c(S(=O)(=O)N2CCN=C2C)cc1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c1-3-19-11-6-10(14)12(7-9(11)13)20(17,18)16-5-4-15-8(16)2/h6-7H,3-5H2,1-2H3
InChIKeyJAGKKQNTBFKYMI-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.81
Rot. Bonds4

About 1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole

1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (PubChem CID 2990942) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
PubChem CID2990942
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC Name1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCCOc1cc(Cl)c(S(=O)(=O)N2CCN=C2C)cc1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c1-3-19-11-6-10(14)12(7-9(11)13)20(17,18)16-5-4-15-8(16)2/h6-7H,3-5H2,1-2H3
InChIKeyJAGKKQNTBFKYMI-UHFFFAOYSA-N
XLogP2.81
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The IUPAC name of 1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (CID 2990942) is 1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is CCOc1cc(Cl)c(S(=O)(=O)N2CCN=C2C)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The InChIKey is JAGKKQNTBFKYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c1-3-19-11-6-10(14)12(7-9(11)13)20(17,18)16-5-4-15-8(16)2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole has a molecular weight of 337.23 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-ethoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 2990942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).