5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid

C10H9N3O7S — CID 79994409

IUPAC5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)o1
InChIInChI=1S/C10H9N3O7S/c14-8-7(4-11-10(17)13-8)21(18,19)12-3-5-1-2-6(20-5)9(15)16/h1-2,4,12H,3H2,(H,15,16)(H2,11,13,14,17)
InChIKeyZNXLFAWPJJPSAF-UHFFFAOYSA-N
MW315.26 g/mol
LogP-1.17
Rot. Bonds5

About 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid

5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid (PubChem CID 79994409) has the molecular formula C10H9N3O7S and a molecular weight of 315.26 g/mol. Its IUPAC name is 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid
PubChem CID79994409
Molecular FormulaC10H9N3O7S
Molecular Weight315.26 g/mol
Exact Mass315.02
IUPAC Name5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)o1
InChIInChI=1S/C10H9N3O7S/c14-8-7(4-11-10(17)13-8)21(18,19)12-3-5-1-2-6(20-5)9(15)16/h1-2,4,12H,3H2,(H,15,16)(H2,11,13,14,17)
InChIKeyZNXLFAWPJJPSAF-UHFFFAOYSA-N
XLogP-1.17
TPSA162.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid (CID 79994409) is 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)o1.
What is the InChIKey of 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid?
The InChIKey is ZNXLFAWPJJPSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O7S/c14-8-7(4-11-10(17)13-8)21(18,19)12-3-5-1-2-6(20-5)9(15)16/h1-2,4,12H,3H2,(H,15,16)(H2,11,13,14,17).
What are the key properties of 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid?
5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid has a molecular weight of 315.26 g/mol, XLogP of -1.17, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 79994409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).