5-(cyclopropylsulfamoyl)furan-3-carboxylic acid

C8H9NO5S — CID 84694362

IUPAC5-(cyclopropylsulfamoyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C8H9NO5S/c10-8(11)5-3-7(14-4-5)15(12,13)9-6-1-2-6/h3-4,6,9H,1-2H2,(H,10,11)
InChIKeyRYKZZYOJEKFAKW-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.42
Rot. Bonds4

About 5-(cyclopropylsulfamoyl)furan-3-carboxylic acid

5-(cyclopropylsulfamoyl)furan-3-carboxylic acid (PubChem CID 84694362) has the molecular formula C8H9NO5S and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)furan-3-carboxylic acid
PubChem CID84694362
Molecular FormulaC8H9NO5S
Molecular Weight231.23 g/mol
Exact Mass231.02
IUPAC Name5-(cyclopropylsulfamoyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C8H9NO5S/c10-8(11)5-3-7(14-4-5)15(12,13)9-6-1-2-6/h3-4,6,9H,1-2H2,(H,10,11)
InChIKeyRYKZZYOJEKFAKW-UHFFFAOYSA-N
XLogP0.42
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(cyclopropylsulfamoyl)furan-3-carboxylic acid (CID 84694362) is 5-(cyclopropylsulfamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(cyclopropylsulfamoyl)furan-3-carboxylic acid is O=C(O)c1coc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)furan-3-carboxylic acid?
The InChIKey is RYKZZYOJEKFAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5S/c10-8(11)5-3-7(14-4-5)15(12,13)9-6-1-2-6/h3-4,6,9H,1-2H2,(H,10,11).
What are the key properties of 5-(cyclopropylsulfamoyl)furan-3-carboxylic acid?
5-(cyclopropylsulfamoyl)furan-3-carboxylic acid has a molecular weight of 231.23 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 84694362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).