5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid

C7H6F3NO5S — CID 29077583

IUPAC5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC(F)(F)F)o1
InChIInChI=1S/C7H6F3NO5S/c8-7(9,10)3-11-17(14,15)5-2-1-4(16-5)6(12)13/h1-2,11H,3H2,(H,12,13)
InChIKeyKQUPOLUORLABKR-UHFFFAOYSA-N
MW273.19 g/mol
LogP0.82
Rot. Bonds4

About 5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid

5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 29077583) has the molecular formula C7H6F3NO5S and a molecular weight of 273.19 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
PubChem CID29077583
Molecular FormulaC7H6F3NO5S
Molecular Weight273.19 g/mol
Exact Mass272.99
IUPAC Name5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC(F)(F)F)o1
InChIInChI=1S/C7H6F3NO5S/c8-7(9,10)3-11-17(14,15)5-2-1-4(16-5)6(12)13/h1-2,11H,3H2,(H,12,13)
InChIKeyKQUPOLUORLABKR-UHFFFAOYSA-N
XLogP0.82
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 106335110
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62539404
5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 106328341
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
CID 104932979
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
5-(2,2,2-trifluoroethoxymethylsulfonyl)furan-2-carboxylic acid
CID 106704914
5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 43361993
5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 61298881
5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid
CID 62989592
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid (CID 29077583) is 5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCC(F)(F)F)o1.
What is the InChIKey of 5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is KQUPOLUORLABKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO5S/c8-7(9,10)3-11-17(14,15)5-2-1-4(16-5)6(12)13/h1-2,11H,3H2,(H,12,13).
What are the key properties of 5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid?
5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 273.19 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 29077583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).