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

C12H13ClN2O3S — CID 850091

IUPAC1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methylimidazole
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1C
InChIInChI=1S/C12H13ClN2O3S/c1-8-6-11(18-3)12(7-10(8)13)19(16,17)15-5-4-14-9(15)2/h4-7H,1-3H3
InChIKeyFJSBDVQZWDYFPF-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.40
Rot. Bonds3

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

1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methylimidazole (PubChem CID 850091) 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-2-methylimidazole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methylimidazole
PubChem CID850091
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methylimidazole
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1C
InChIInChI=1S/C12H13ClN2O3S/c1-8-6-11(18-3)12(7-10(8)13)19(16,17)15-5-4-14-9(15)2/h4-7H,1-3H3
InChIKeyFJSBDVQZWDYFPF-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methylimidazole?
The IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methylimidazole (CID 850091) is 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methylimidazole.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methylimidazole?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methylimidazole is COc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1C.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methylimidazole?
The InChIKey is FJSBDVQZWDYFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-8-6-11(18-3)12(7-10(8)13)19(16,17)15-5-4-14-9(15)2/h4-7H,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methylimidazole?
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-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-2-methylimidazole is sourced from PubChem (CID 850091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).