ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate

C13H15N3O5S — CID 122141670

IUPACethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)o1
InChIInChI=1S/C13H15N3O5S/c1-4-20-12(17)10-5-6-11(21-10)22(18,19)16-13-14-8(2)7-9(3)15-13/h5-7H,4H2,1-3H3,(H,14,15,16)
InChIKeyKDDSOKYDVSTYKJ-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.66
Rot. Bonds5

About ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate

ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate (PubChem CID 122141670) has the molecular formula C13H15N3O5S and a molecular weight of 325.35 g/mol. Its IUPAC name is ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate
PubChem CID122141670
Molecular FormulaC13H15N3O5S
Molecular Weight325.35 g/mol
Exact Mass325.07
IUPAC Nameethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)o1
InChIInChI=1S/C13H15N3O5S/c1-4-20-12(17)10-5-6-11(21-10)22(18,19)16-13-14-8(2)7-9(3)15-13/h5-7H,4H2,1-3H3,(H,14,15,16)
InChIKeyKDDSOKYDVSTYKJ-UHFFFAOYSA-N
XLogP1.66
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate (CID 122141670) is ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)o1.
What is the InChIKey of ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate?
The InChIKey is KDDSOKYDVSTYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5S/c1-4-20-12(17)10-5-6-11(21-10)22(18,19)16-13-14-8(2)7-9(3)15-13/h5-7H,4H2,1-3H3,(H,14,15,16).
What are the key properties of ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate?
ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate has a molecular weight of 325.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate is sourced from PubChem (CID 122141670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).