3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C10H12F3NO4S2 — CID 102748587

IUPAC3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C10H12F3NO4S2/c1-3-14(5-10(11,12)13)20(17,18)8-6(2)4-19-7(8)9(15)16/h4H,3,5H2,1-2H3,(H,15,16)
InChIKeyUDDKDGRLZUMJDV-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.33
Rot. Bonds5

About 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102748587) has the molecular formula C10H12F3NO4S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102748587
Molecular FormulaC10H12F3NO4S2
Molecular Weight331.34 g/mol
Exact Mass331.02
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C10H12F3NO4S2/c1-3-14(5-10(11,12)13)20(17,18)8-6(2)4-19-7(8)9(15)16/h4H,3,5H2,1-2H3,(H,15,16)
InChIKeyUDDKDGRLZUMJDV-UHFFFAOYSA-N
XLogP2.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102748587) is 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is CCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1C(=O)O.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is UDDKDGRLZUMJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S2/c1-3-14(5-10(11,12)13)20(17,18)8-6(2)4-19-7(8)9(15)16/h4H,3,5H2,1-2H3,(H,15,16).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 331.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102748587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).