4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid

C9H10F3NO5S2 — CID 61072977

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCOCC(F)(F)F)cs1
InChIInChI=1S/C9H10F3NO5S2/c10-9(11,12)5-18-2-1-13-20(16,17)6-3-7(8(14)15)19-4-6/h3-4,13H,1-2,5H2,(H,14,15)
InChIKeyVAIYZFNHOZMHKD-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.30
Rot. Bonds7

About 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid

4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61072977) has the molecular formula C9H10F3NO5S2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61072977
Molecular FormulaC9H10F3NO5S2
Molecular Weight333.31 g/mol
Exact Mass333.00
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCOCC(F)(F)F)cs1
InChIInChI=1S/C9H10F3NO5S2/c10-9(11,12)5-18-2-1-13-20(16,17)6-3-7(8(14)15)19-4-6/h3-4,13H,1-2,5H2,(H,14,15)
InChIKeyVAIYZFNHOZMHKD-UHFFFAOYSA-N
XLogP1.30
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 61072977) is 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCCOCC(F)(F)F)cs1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is VAIYZFNHOZMHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO5S2/c10-9(11,12)5-18-2-1-13-20(16,17)6-3-7(8(14)15)19-4-6/h3-4,13H,1-2,5H2,(H,14,15).
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 333.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61072977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).