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

C9H10F3NO4S2 — CID 55149641

IUPAC4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C9H10F3NO4S2/c1-2-13(5-9(10,11)12)19(16,17)6-3-7(8(14)15)18-4-6/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyAEMZNFOLZIFZHS-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.02
Rot. Bonds5

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

4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 55149641) has the molecular formula C9H10F3NO4S2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID55149641
Molecular FormulaC9H10F3NO4S2
Molecular Weight317.31 g/mol
Exact Mass317.00
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C9H10F3NO4S2/c1-2-13(5-9(10,11)12)19(16,17)6-3-7(8(14)15)18-4-6/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyAEMZNFOLZIFZHS-UHFFFAOYSA-N
XLogP2.02
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 55149641) is 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid is CCN(CC(F)(F)F)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is AEMZNFOLZIFZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4S2/c1-2-13(5-9(10,11)12)19(16,17)6-3-7(8(14)15)18-4-6/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 317.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 55149641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).