1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole

C11H11ClN2O3S — CID 1258797

IUPAC1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole
SMILESCCOc1cc(S(=O)(=O)n2ccnc2)ccc1Cl
InChIInChI=1S/C11H11ClN2O3S/c1-2-17-11-7-9(3-4-10(11)12)18(15,16)14-6-5-13-8-14/h3-8H,2H2,1H3
InChIKeyFBNFZPSORHYECL-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole

1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole (PubChem CID 1258797) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole
PubChem CID1258797
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole
SMILESCCOc1cc(S(=O)(=O)n2ccnc2)ccc1Cl
InChIInChI=1S/C11H11ClN2O3S/c1-2-17-11-7-9(3-4-10(11)12)18(15,16)14-6-5-13-8-14/h3-8H,2H2,1H3
InChIKeyFBNFZPSORHYECL-UHFFFAOYSA-N
XLogP2.17
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole?
The IUPAC name of 1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole (CID 1258797) is 1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole?
The canonical SMILES for 1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole is CCOc1cc(S(=O)(=O)n2ccnc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole?
The InChIKey is FBNFZPSORHYECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-2-17-11-7-9(3-4-10(11)12)18(15,16)14-6-5-13-8-14/h3-8H,2H2,1H3.
What are the key properties of 1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole?
1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole has a molecular weight of 286.74 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethoxyphenyl)sulfonylimidazole is sourced from PubChem (CID 1258797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).