5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid

C6H5F2NO4S2 — CID 43474977

IUPAC5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)C(F)F)s1
InChIInChI=1S/C6H5F2NO4S2/c7-6(8)15(12,13)9-4-2-1-3(14-4)5(10)11/h1-2,6,9H,(H,10,11)
InChIKeyILHFMZDIMPFEAU-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.41
Rot. Bonds4

About 5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid

5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid (PubChem CID 43474977) has the molecular formula C6H5F2NO4S2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid
PubChem CID43474977
Molecular FormulaC6H5F2NO4S2
Molecular Weight257.24 g/mol
Exact Mass256.96
IUPAC Name5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)C(F)F)s1
InChIInChI=1S/C6H5F2NO4S2/c7-6(8)15(12,13)9-4-2-1-3(14-4)5(10)11/h1-2,6,9H,(H,10,11)
InChIKeyILHFMZDIMPFEAU-UHFFFAOYSA-N
XLogP1.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid (CID 43474977) is 5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid is O=C(O)c1ccc(NS(=O)(=O)C(F)F)s1.
What is the InChIKey of 5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid?
The InChIKey is ILHFMZDIMPFEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO4S2/c7-6(8)15(12,13)9-4-2-1-3(14-4)5(10)11/h1-2,6,9H,(H,10,11).
What are the key properties of 5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid?
5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid has a molecular weight of 257.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 43474977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).