ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate

C15H19N3O4S — CID 56806404

IUPACethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C15H19N3O4S/c1-4-18(23(20,21)14-10-17(3)11-16-14)13-9-7-6-8-12(13)15(19)22-5-2/h6-11H,4-5H2,1-3H3
InChIKeyJONWJGWEOKHWOA-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.81
Rot. Bonds6

About ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate

ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate (PubChem CID 56806404) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate
PubChem CID56806404
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Nameethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C15H19N3O4S/c1-4-18(23(20,21)14-10-17(3)11-16-14)13-9-7-6-8-12(13)15(19)22-5-2/h6-11H,4-5H2,1-3H3
InChIKeyJONWJGWEOKHWOA-UHFFFAOYSA-N
XLogP1.81
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate?
The IUPAC name of ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate (CID 56806404) is ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate is CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate?
The InChIKey is JONWJGWEOKHWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-4-18(23(20,21)14-10-17(3)11-16-14)13-9-7-6-8-12(13)15(19)22-5-2/h6-11H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate?
ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate has a molecular weight of 337.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate is sourced from PubChem (CID 56806404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).