1-(5-chloro-2-methoxyphenyl)sulfonylimidazole

C10H9ClN2O3S — CID 775798

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonylimidazole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C10H9ClN2O3S/c1-16-9-3-2-8(11)6-10(9)17(14,15)13-5-4-12-7-13/h2-7H,1H3
InChIKeyJIRLOFLEWSPHLK-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.78
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)sulfonylimidazole

1-(5-chloro-2-methoxyphenyl)sulfonylimidazole (PubChem CID 775798) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonylimidazole
PubChem CID775798
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonylimidazole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C10H9ClN2O3S/c1-16-9-3-2-8(11)6-10(9)17(14,15)13-5-4-12-7-13/h2-7H,1H3
InChIKeyJIRLOFLEWSPHLK-UHFFFAOYSA-N
XLogP1.78
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-methoxyphenyl)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-(5-chloro-2-methoxyphenyl)sulfonylimidazole?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonylimidazole (CID 775798) is 1-(5-chloro-2-methoxyphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonylimidazole?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonylimidazole is COc1ccc(Cl)cc1S(=O)(=O)n1ccnc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonylimidazole?
The InChIKey is JIRLOFLEWSPHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c1-16-9-3-2-8(11)6-10(9)17(14,15)13-5-4-12-7-13/h2-7H,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonylimidazole?
1-(5-chloro-2-methoxyphenyl)sulfonylimidazole has a molecular weight of 272.71 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonylimidazole is sourced from PubChem (CID 775798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).