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

C9H10F3NO4S2 — CID 54942014

IUPAC3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C9H10F3NO4S2/c1-2-13(5-9(10,11)12)19(16,17)6-3-4-18-7(6)8(14)15/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyTUAUNSQFCXWFBE-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.02
Rot. Bonds5

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

3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 54942014) has the molecular formula C9H10F3NO4S2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID54942014
Molecular FormulaC9H10F3NO4S2
Molecular Weight317.31 g/mol
Exact Mass317.00
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C9H10F3NO4S2/c1-2-13(5-9(10,11)12)19(16,17)6-3-4-18-7(6)8(14)15/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyTUAUNSQFCXWFBE-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 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 54942014) is 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid is CCN(CC(F)(F)F)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is TUAUNSQFCXWFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4S2/c1-2-13(5-9(10,11)12)19(16,17)6-3-4-18-7(6)8(14)15/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[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 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 54942014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).