1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole

C11H11ClN2O3S — CID 1259433

IUPAC1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C11H11ClN2O3S/c1-8-5-10(17-2)11(6-9(8)12)18(15,16)14-4-3-13-7-14/h3-7H,1-2H3
InChIKeyJSRLZQBPCVRPQU-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.09
Rot. Bonds3

About 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole

1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole (PubChem CID 1259433) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole
PubChem CID1259433
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C11H11ClN2O3S/c1-8-5-10(17-2)11(6-9(8)12)18(15,16)14-4-3-13-7-14/h3-7H,1-2H3
InChIKeyJSRLZQBPCVRPQU-UHFFFAOYSA-N
XLogP2.09
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole?
The IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole (CID 1259433) is 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole is COc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole?
The InChIKey is JSRLZQBPCVRPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-8-5-10(17-2)11(6-9(8)12)18(15,16)14-4-3-13-7-14/h3-7H,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole?
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonylimidazole has a molecular weight of 286.74 g/mol, XLogP of 2.09, 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-methoxy-4-methylphenyl)sulfonylimidazole is sourced from PubChem (CID 1259433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).