ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate

C23H19FN4O4S — CID 1409804

IUPACethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN4O4S/c1-2-32-23(29)15-7-11-17(12-8-15)25-21-22(27-20-6-4-3-5-19(20)26-21)28-33(30,31)18-13-9-16(24)10-14-18/h3-14H,2H2,1H3,(H,25,26)(H,27,28)
InChIKeyMOOQSNIELUPSLW-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.49
Rot. Bonds7

About ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate

ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate (PubChem CID 1409804) has the molecular formula C23H19FN4O4S and a molecular weight of 466.49 g/mol. Its IUPAC name is ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
PubChem CID1409804
Molecular FormulaC23H19FN4O4S
Molecular Weight466.49 g/mol
Exact Mass466.11
IUPAC Nameethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN4O4S/c1-2-32-23(29)15-7-11-17(12-8-15)25-21-22(27-20-6-4-3-5-19(20)26-21)28-33(30,31)18-13-9-16(24)10-14-18/h3-14H,2H2,1H3,(H,25,26)(H,27,28)
InChIKeyMOOQSNIELUPSLW-UHFFFAOYSA-N
XLogP4.49
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate (CID 1409804) is ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate?
The InChIKey is MOOQSNIELUPSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4S/c1-2-32-23(29)15-7-11-17(12-8-15)25-21-22(27-20-6-4-3-5-19(20)26-21)28-33(30,31)18-13-9-16(24)10-14-18/h3-14H,2H2,1H3,(H,25,26)(H,27,28).
What are the key properties of ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate?
ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate has a molecular weight of 466.49 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-[(4-fluorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate is sourced from PubChem (CID 1409804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).