1-(3,4-dipropoxyphenyl)sulfonylimidazole

C15H20N2O4S — CID 71671433

IUPAC1-(3,4-dipropoxyphenyl)sulfonylimidazole
SMILESCCCOc1ccc(S(=O)(=O)n2ccnc2)cc1OCCC
InChIInChI=1S/C15H20N2O4S/c1-3-9-20-14-6-5-13(11-15(14)21-10-4-2)22(18,19)17-8-7-16-12-17/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyAZDVMJAMLJGYCL-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.70
Rot. Bonds8

About 1-(3,4-dipropoxyphenyl)sulfonylimidazole

1-(3,4-dipropoxyphenyl)sulfonylimidazole (PubChem CID 71671433) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(3,4-dipropoxyphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(3,4-dipropoxyphenyl)sulfonylimidazole
PubChem CID71671433
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-(3,4-dipropoxyphenyl)sulfonylimidazole
SMILESCCCOc1ccc(S(=O)(=O)n2ccnc2)cc1OCCC
InChIInChI=1S/C15H20N2O4S/c1-3-9-20-14-6-5-13(11-15(14)21-10-4-2)22(18,19)17-8-7-16-12-17/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyAZDVMJAMLJGYCL-UHFFFAOYSA-N
XLogP2.70
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dipropoxyphenyl)sulfonylimidazole?
The IUPAC name of 1-(3,4-dipropoxyphenyl)sulfonylimidazole (CID 71671433) is 1-(3,4-dipropoxyphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(3,4-dipropoxyphenyl)sulfonylimidazole?
The canonical SMILES for 1-(3,4-dipropoxyphenyl)sulfonylimidazole is CCCOc1ccc(S(=O)(=O)n2ccnc2)cc1OCCC.
What is the InChIKey of 1-(3,4-dipropoxyphenyl)sulfonylimidazole?
The InChIKey is AZDVMJAMLJGYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-3-9-20-14-6-5-13(11-15(14)21-10-4-2)22(18,19)17-8-7-16-12-17/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dipropoxyphenyl)sulfonylimidazole?
1-(3,4-dipropoxyphenyl)sulfonylimidazole has a molecular weight of 324.40 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dipropoxyphenyl)sulfonylimidazole is sourced from PubChem (CID 71671433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).