5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid

C11H12BrNO6S — CID 80714938

IUPAC5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CC3CCC2O3)c(Br)o1
InChIInChI=1S/C11H12BrNO6S/c12-10-9(4-8(19-10)11(14)15)20(16,17)13-6-3-5-1-2-7(6)18-5/h4-7,13H,1-3H2,(H,14,15)
InChIKeyYGBFXKLFOGETMG-UHFFFAOYSA-N
MW366.19 g/mol
LogP1.34
Rot. Bonds4

About 5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid

5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid (PubChem CID 80714938) has the molecular formula C11H12BrNO6S and a molecular weight of 366.19 g/mol. Its IUPAC name is 5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
PubChem CID80714938
Molecular FormulaC11H12BrNO6S
Molecular Weight366.19 g/mol
Exact Mass364.96
IUPAC Name5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CC3CCC2O3)c(Br)o1
InChIInChI=1S/C11H12BrNO6S/c12-10-9(4-8(19-10)11(14)15)20(16,17)13-6-3-5-1-2-7(6)18-5/h4-7,13H,1-3H2,(H,14,15)
InChIKeyYGBFXKLFOGETMG-UHFFFAOYSA-N
XLogP1.34
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid
CID 63827504
5-Bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid
CID 103091330
5-Bromo-4-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid
CID 105642804
5-Bromo-4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]furan-2-carboxylic acid
CID 114093090
5-(Oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 43149841
5-[1-(Oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 43533871
5-[(3-Hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 43696873
5-[2-(Oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 54917551
5-(Oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 55014192
5-Bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid
CID 55119493
5-Bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 55119539
5-Bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid
CID 55119589

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid (CID 80714938) is 5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC2CC3CCC2O3)c(Br)o1.
What is the InChIKey of 5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is YGBFXKLFOGETMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO6S/c12-10-9(4-8(19-10)11(14)15)20(16,17)13-6-3-5-1-2-7(6)18-5/h4-7,13H,1-3H2,(H,14,15).
What are the key properties of 5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 366.19 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 80714938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).