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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Related Compounds

5-ethoxycarbonylfuran-2-sulfonate
CID 3837677
ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate
CID 119983242
ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120664749
ethyl 5-(piperidin-4-ylsulfamoyl)furan-2-carboxylate
CID 119960606
ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride
CID 120717695
ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
CID 120582735
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19446559
ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate
CID 119974281
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
ethyl 5-(piperidin-3-ylsulfamoyl)furan-2-carboxylate
CID 119964317
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658

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).