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

C11H14F3NO4S2 — CID 154744674

IUPAC3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCCN(CCC(F)(F)F)S(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C11H14F3NO4S2/c1-3-15(5-4-11(12,13)14)21(18,19)9-7(2)6-20-8(9)10(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChIKeyDYFVSFXYGDVLRD-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.72
Rot. Bonds6

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

3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 154744674) has the molecular formula C11H14F3NO4S2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID154744674
Molecular FormulaC11H14F3NO4S2
Molecular Weight345.36 g/mol
Exact Mass345.03
IUPAC Name3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCCN(CCC(F)(F)F)S(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C11H14F3NO4S2/c1-3-15(5-4-11(12,13)14)21(18,19)9-7(2)6-20-8(9)10(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChIKeyDYFVSFXYGDVLRD-UHFFFAOYSA-N
XLogP2.72
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 154744674) is 3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is CCN(CCC(F)(F)F)S(=O)(=O)c1c(C)csc1C(=O)O.
What is the InChIKey of 3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is DYFVSFXYGDVLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO4S2/c1-3-15(5-4-11(12,13)14)21(18,19)9-7(2)6-20-8(9)10(16)17/h6H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(3,3,3-trifluoropropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 154744674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).