5-(tert-butylsulfamoyl)furan-3-carboxylic acid

C9H13NO5S — CID 167494093

IUPAC5-(tert-butylsulfamoyl)furan-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C9H13NO5S/c1-9(2,3)10-16(13,14)7-4-6(5-15-7)8(11)12/h4-5,10H,1-3H3,(H,11,12)
InChIKeyYZFWDGQSYFUYAI-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.05
Rot. Bonds3

About 5-(tert-butylsulfamoyl)furan-3-carboxylic acid

5-(tert-butylsulfamoyl)furan-3-carboxylic acid (PubChem CID 167494093) has the molecular formula C9H13NO5S and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)furan-3-carboxylic acid
PubChem CID167494093
Molecular FormulaC9H13NO5S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Name5-(tert-butylsulfamoyl)furan-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C9H13NO5S/c1-9(2,3)10-16(13,14)7-4-6(5-15-7)8(11)12/h4-5,10H,1-3H3,(H,11,12)
InChIKeyYZFWDGQSYFUYAI-UHFFFAOYSA-N
XLogP1.05
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(tert-butylsulfamoyl)furan-3-carboxylic acid (CID 167494093) is 5-(tert-butylsulfamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(tert-butylsulfamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(tert-butylsulfamoyl)furan-3-carboxylic acid is CC(C)(C)NS(=O)(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-(tert-butylsulfamoyl)furan-3-carboxylic acid?
The InChIKey is YZFWDGQSYFUYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S/c1-9(2,3)10-16(13,14)7-4-6(5-15-7)8(11)12/h4-5,10H,1-3H3,(H,11,12).
What are the key properties of 5-(tert-butylsulfamoyl)furan-3-carboxylic acid?
5-(tert-butylsulfamoyl)furan-3-carboxylic acid has a molecular weight of 247.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 167494093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).