3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid

C7H6F3NO4S2 — CID 43361336

IUPAC3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)C(F)(F)F)sc1C(=O)O
InChIInChI=1S/C7H6F3NO4S2/c1-3-2-4(16-5(3)6(12)13)11-17(14,15)7(8,9)10/h2,11H,1H3,(H,12,13)
InChIKeyWIVARFKKGFPUAM-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.02
Rot. Bonds3

About 3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid

3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid (PubChem CID 43361336) has the molecular formula C7H6F3NO4S2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid
PubChem CID43361336
Molecular FormulaC7H6F3NO4S2
Molecular Weight289.26 g/mol
Exact Mass288.97
IUPAC Name3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)C(F)(F)F)sc1C(=O)O
InChIInChI=1S/C7H6F3NO4S2/c1-3-2-4(16-5(3)6(12)13)11-17(14,15)7(8,9)10/h2,11H,1H3,(H,12,13)
InChIKeyWIVARFKKGFPUAM-UHFFFAOYSA-N
XLogP2.02
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid (CID 43361336) is 3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)C(F)(F)F)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid?
The InChIKey is WIVARFKKGFPUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO4S2/c1-3-2-4(16-5(3)6(12)13)11-17(14,15)7(8,9)10/h2,11H,1H3,(H,12,13).
What are the key properties of 3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid?
3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid has a molecular weight of 289.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethylsulfonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 43361336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).