1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole

C12H13ClN2O3S — CID 850094

IUPAC1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc(C)c1
InChIInChI=1S/C12H13ClN2O3S/c1-8-4-11(18-3)12(5-10(8)13)19(16,17)15-6-9(2)14-7-15/h4-7H,1-3H3
InChIKeyHUYRMBQWPYSKGW-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.40
Rot. Bonds3

About 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole

1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole (PubChem CID 850094) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole
PubChem CID850094
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc(C)c1
InChIInChI=1S/C12H13ClN2O3S/c1-8-4-11(18-3)12(5-10(8)13)19(16,17)15-6-9(2)14-7-15/h4-7H,1-3H3
InChIKeyHUYRMBQWPYSKGW-UHFFFAOYSA-N
XLogP2.40
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-1H-imidazole
CID 775531
1-(5-Chloro-2-methoxyphenyl)sulfonylimidazole
CID 775798
1-(5-Chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
CID 786051
1-(5-Chloro-2-methoxy-4-methyl-benzenesulfonyl)-2-methyl-1H-imidazole
CID 850091
1-(5-Chloro-2-methoxy-4-methyl-benzenesulfonyl)-1H-benzoimidazole
CID 1094945
1-[(5-chloro-2-methoxy-4-methylphenyl)sulfonyl]-1H-imidazole
CID 1259433
1-(2-Methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole
CID 801592
1-(5-Chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole
CID 6484306
1-[(2-Methoxy-4,5-dimethylphenyl)sulfonyl]-4-methylimidazole
CID 20105692
1-(2-Methoxy-4-methylphenyl)sulfonyl-4-methylimidazole
CID 168275468
1-[(3-Methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-4-methylimidazole
CID 168275670
1-(5-Chloro-2-methoxy-benzenesulfonyl)-2-ethyl-1H-imidazole
CID 741691

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole?
The IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole (CID 850094) is 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole is COc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc(C)c1.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole?
The InChIKey is HUYRMBQWPYSKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-8-4-11(18-3)12(5-10(8)13)19(16,17)15-6-9(2)14-7-15/h4-7H,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole?
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-methylimidazole has a molecular weight of 300.77 g/mol, XLogP of 2.40, 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)sulfonyl-4-methylimidazole is sourced from PubChem (CID 850094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).