1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole

C13H14Cl2N2O3S — CID 7574686

IUPAC1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
SMILESCOc1cc(Cl)c(S(=O)(=O)n2ccnc2C(C)C)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3S/c1-8(2)13-16-4-5-17(13)21(18,19)12-7-9(14)11(20-3)6-10(12)15/h4-8H,1-3H3
InChIKeyOWIKQLVFEQBERL-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.56
Rot. Bonds4

About 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole

1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole (PubChem CID 7574686) has the molecular formula C13H14Cl2N2O3S and a molecular weight of 349.24 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
PubChem CID7574686
Molecular FormulaC13H14Cl2N2O3S
Molecular Weight349.24 g/mol
Exact Mass348.01
IUPAC Name1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
SMILESCOc1cc(Cl)c(S(=O)(=O)n2ccnc2C(C)C)cc1Cl
InChIInChI=1S/C13H14Cl2N2O3S/c1-8(2)13-16-4-5-17(13)21(18,19)12-7-9(14)11(20-3)6-10(12)15/h4-8H,1-3H3
InChIKeyOWIKQLVFEQBERL-UHFFFAOYSA-N
XLogP3.56
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole (CID 7574686) is 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The canonical SMILES for 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole is COc1cc(Cl)c(S(=O)(=O)n2ccnc2C(C)C)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
The InChIKey is OWIKQLVFEQBERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3S/c1-8(2)13-16-4-5-17(13)21(18,19)12-7-9(14)11(20-3)6-10(12)15/h4-8H,1-3H3.
What are the key properties of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole?
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole has a molecular weight of 349.24 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole is sourced from PubChem (CID 7574686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).