5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid

C8H11NO5S — CID 84696584

IUPAC5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid
SMILESCC(C)NS(=O)(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C8H11NO5S/c1-5(2)9-15(12,13)7-3-6(4-14-7)8(10)11/h3-5,9H,1-2H3,(H,10,11)
InChIKeyMTYUAMYBZSIEDZ-UHFFFAOYSA-N
MW233.24 g/mol
LogP0.66
Rot. Bonds4

About 5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid

5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid (PubChem CID 84696584) has the molecular formula C8H11NO5S and a molecular weight of 233.24 g/mol. Its IUPAC name is 5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid
PubChem CID84696584
Molecular FormulaC8H11NO5S
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Name5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid
SMILESCC(C)NS(=O)(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C8H11NO5S/c1-5(2)9-15(12,13)7-3-6(4-14-7)8(10)11/h3-5,9H,1-2H3,(H,10,11)
InChIKeyMTYUAMYBZSIEDZ-UHFFFAOYSA-N
XLogP0.66
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid (CID 84696584) is 5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid is CC(C)NS(=O)(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid?
The InChIKey is MTYUAMYBZSIEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S/c1-5(2)9-15(12,13)7-3-6(4-14-7)8(10)11/h3-5,9H,1-2H3,(H,10,11).
What are the key properties of 5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid?
5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid has a molecular weight of 233.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylsulfamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 84696584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).