5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid

C11H15NO6S — CID 43696873

IUPAC5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CCCC(O)C2)o1
InChIInChI=1S/C11H15NO6S/c13-8-3-1-2-7(6-8)12-19(16,17)10-5-4-9(18-10)11(14)15/h4-5,7-8,12-13H,1-3,6H2,(H,14,15)
InChIKeyHSULLWKGMQJFTC-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.56
Rot. Bonds4

About 5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid

5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43696873) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43696873
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CCCC(O)C2)o1
InChIInChI=1S/C11H15NO6S/c13-8-3-1-2-7(6-8)12-19(16,17)10-5-4-9(18-10)11(14)15/h4-5,7-8,12-13H,1-3,6H2,(H,14,15)
InChIKeyHSULLWKGMQJFTC-UHFFFAOYSA-N
XLogP0.56
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid (CID 43696873) is 5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NC2CCCC(O)C2)o1.
What is the InChIKey of 5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is HSULLWKGMQJFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c13-8-3-1-2-7(6-8)12-19(16,17)10-5-4-9(18-10)11(14)15/h4-5,7-8,12-13H,1-3,6H2,(H,14,15).
What are the key properties of 5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid?
5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxycyclohexyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43696873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).