5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid

C9H9BrF3NO5S — CID 62831104

IUPAC5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C9H9BrF3NO5S/c1-2-14(4-9(11,12)13)20(17,18)6-3-5(8(15)16)19-7(6)10/h3H,2,4H2,1H3,(H,15,16)
InChIKeyGWVPOMGHIHZLID-UHFFFAOYSA-N
MW380.14 g/mol
LogP2.31
Rot. Bonds5

About 5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62831104) has the molecular formula C9H9BrF3NO5S and a molecular weight of 380.14 g/mol. Its IUPAC name is 5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62831104
Molecular FormulaC9H9BrF3NO5S
Molecular Weight380.14 g/mol
Exact Mass378.93
IUPAC Name5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C9H9BrF3NO5S/c1-2-14(4-9(11,12)13)20(17,18)6-3-5(8(15)16)19-7(6)10/h3H,2,4H2,1H3,(H,15,16)
InChIKeyGWVPOMGHIHZLID-UHFFFAOYSA-N
XLogP2.31
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid (CID 62831104) is 5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid is CCN(CC(F)(F)F)S(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is GWVPOMGHIHZLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO5S/c1-2-14(4-9(11,12)13)20(17,18)6-3-5(8(15)16)19-7(6)10/h3H,2,4H2,1H3,(H,15,16).
What are the key properties of 5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 380.14 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62831104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).