2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid

C10H12F3NO5S — CID 60892908

IUPAC2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)N(C)CC(F)(F)F)c1C(=O)O
InChIInChI=1S/C10H12F3NO5S/c1-5-7(9(15)16)8(6(2)19-5)20(17,18)14(3)4-10(11,12)13/h4H2,1-3H3,(H,15,16)
InChIKeyAMRSIZZNIUWKIB-UHFFFAOYSA-N
MW315.27 g/mol
LogP1.78
Rot. Bonds4

About 2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid

2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid (PubChem CID 60892908) has the molecular formula C10H12F3NO5S and a molecular weight of 315.27 g/mol. Its IUPAC name is 2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid
PubChem CID60892908
Molecular FormulaC10H12F3NO5S
Molecular Weight315.27 g/mol
Exact Mass315.04
IUPAC Name2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)N(C)CC(F)(F)F)c1C(=O)O
InChIInChI=1S/C10H12F3NO5S/c1-5-7(9(15)16)8(6(2)19-5)20(17,18)14(3)4-10(11,12)13/h4H2,1-3H3,(H,15,16)
InChIKeyAMRSIZZNIUWKIB-UHFFFAOYSA-N
XLogP1.78
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid (CID 60892908) is 2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)N(C)CC(F)(F)F)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid?
The InChIKey is AMRSIZZNIUWKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO5S/c1-5-7(9(15)16)8(6(2)19-5)20(17,18)14(3)4-10(11,12)13/h4H2,1-3H3,(H,15,16).
What are the key properties of 2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid?
2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid has a molecular weight of 315.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 60892908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).