5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid

C10H10N4O6S — CID 43709804

IUPAC5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid
SMILESNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)cn1
InChIInChI=1S/C10H10N4O6S/c11-8(15)5-14-4-6(3-12-14)13-21(18,19)9-2-1-7(20-9)10(16)17/h1-4,13H,5H2,(H2,11,15)(H,16,17)
InChIKeyQJFGLNRMMFFZHA-UHFFFAOYSA-N
MW314.28 g/mol
LogP-0.54
Rot. Bonds6

About 5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid

5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 43709804) has the molecular formula C10H10N4O6S and a molecular weight of 314.28 g/mol. Its IUPAC name is 5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid
PubChem CID43709804
Molecular FormulaC10H10N4O6S
Molecular Weight314.28 g/mol
Exact Mass314.03
IUPAC Name5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid
SMILESNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)cn1
InChIInChI=1S/C10H10N4O6S/c11-8(15)5-14-4-6(3-12-14)13-21(18,19)9-2-1-7(20-9)10(16)17/h1-4,13H,5H2,(H2,11,15)(H,16,17)
InChIKeyQJFGLNRMMFFZHA-UHFFFAOYSA-N
XLogP-0.54
TPSA157.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid (CID 43709804) is 5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid is NC(=O)Cn1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)cn1.
What is the InChIKey of 5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is QJFGLNRMMFFZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O6S/c11-8(15)5-14-4-6(3-12-14)13-21(18,19)9-2-1-7(20-9)10(16)17/h1-4,13H,5H2,(H2,11,15)(H,16,17).
What are the key properties of 5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid?
5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 314.28 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43709804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).