2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid

C9H10F3NO5S — CID 43137832

IUPAC2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCC(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H10F3NO5S/c1-4-6(8(14)15)7(5(2)18-4)19(16,17)13-3-9(10,11)12/h13H,3H2,1-2H3,(H,14,15)
InChIKeyCHQNRIRCTGRUOL-UHFFFAOYSA-N
MW301.24 g/mol
LogP1.44
Rot. Bonds4

About 2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid

2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid (PubChem CID 43137832) has the molecular formula C9H10F3NO5S and a molecular weight of 301.24 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid
PubChem CID43137832
Molecular FormulaC9H10F3NO5S
Molecular Weight301.24 g/mol
Exact Mass301.02
IUPAC Name2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCC(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H10F3NO5S/c1-4-6(8(14)15)7(5(2)18-4)19(16,17)13-3-9(10,11)12/h13H,3H2,1-2H3,(H,14,15)
InChIKeyCHQNRIRCTGRUOL-UHFFFAOYSA-N
XLogP1.44
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid (CID 43137832) is 2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)NCC(F)(F)F)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid?
The InChIKey is CHQNRIRCTGRUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO5S/c1-4-6(8(14)15)7(5(2)18-4)19(16,17)13-3-9(10,11)12/h13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid?
2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid has a molecular weight of 301.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(2,2,2-trifluoroethylsulfamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 43137832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).