1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole

C14H16N2O4S — CID 6472672

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O4S/c1-3-14-15-10(2)9-16(14)21(17,18)11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyHKECYFAYEXGNOI-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.76
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole (PubChem CID 6472672) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole
PubChem CID6472672
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O4S/c1-3-14-15-10(2)9-16(14)21(17,18)11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyHKECYFAYEXGNOI-UHFFFAOYSA-N
XLogP1.76
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole (CID 6472672) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole is CCc1nc(C)cn1S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole?
The InChIKey is HKECYFAYEXGNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-3-14-15-10(2)9-16(14)21(17,18)11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole has a molecular weight of 308.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-ethyl-4-methylimidazole is sourced from PubChem (CID 6472672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).