1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole

C13H15ClN2O4S — CID 850092

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C13H15ClN2O4S/c1-4-13-15-5-6-16(13)21(17,18)12-8-10(19-2)9(14)7-11(12)20-3/h5-8H,4H2,1-3H3
InChIKeyAMYMRWOVQLACSR-UHFFFAOYSA-N
MW330.79 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole

1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole (PubChem CID 850092) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole
PubChem CID850092
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole
SMILESCCc1nccn1S(=O)(=O)c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C13H15ClN2O4S/c1-4-13-15-5-6-16(13)21(17,18)12-8-10(19-2)9(14)7-11(12)20-3/h5-8H,4H2,1-3H3
InChIKeyAMYMRWOVQLACSR-UHFFFAOYSA-N
XLogP2.35
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole (CID 850092) is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole is CCc1nccn1S(=O)(=O)c1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole?
The InChIKey is AMYMRWOVQLACSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c1-4-13-15-5-6-16(13)21(17,18)12-8-10(19-2)9(14)7-11(12)20-3/h5-8H,4H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole?
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole has a molecular weight of 330.79 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-ethylimidazole is sourced from PubChem (CID 850092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).