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

C12H13ClN2O3S — CID 6484306

IUPAC1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C12H13ClN2O3S/c1-3-18-11-6-9(2)10(13)7-12(11)19(16,17)15-5-4-14-8-15/h4-8H,3H2,1-2H3
InChIKeyAXLKSLCPUQQICM-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.48
Rot. Bonds4

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

1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole (PubChem CID 6484306) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole
PubChem CID6484306
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1
InChIInChI=1S/C12H13ClN2O3S/c1-3-18-11-6-9(2)10(13)7-12(11)19(16,17)15-5-4-14-8-15/h4-8H,3H2,1-2H3
InChIKeyAXLKSLCPUQQICM-UHFFFAOYSA-N
XLogP2.48
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.48
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-ethoxy-4-methylphenyl)sulfonylimidazole?
The IUPAC name of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole (CID 6484306) is 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole?
The canonical SMILES for 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole is CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1.
What is the InChIKey of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole?
The InChIKey is AXLKSLCPUQQICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-3-18-11-6-9(2)10(13)7-12(11)19(16,17)15-5-4-14-8-15/h4-8H,3H2,1-2H3.
What are the key properties of 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole?
1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole has a molecular weight of 300.77 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylimidazole is sourced from PubChem (CID 6484306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).