3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide

C6H4F3NO3S2 — CID 67314937

IUPAC3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sccc1C(=O)C(F)(F)F
InChIInChI=1S/C6H4F3NO3S2/c7-6(8,9)4(11)3-1-2-14-5(3)15(10,12)13/h1-2H,(H2,10,12,13)
InChIKeyWOZXDHKYRDGDEL-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.14
Rot. Bonds2

About 3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide

3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide (PubChem CID 67314937) has the molecular formula C6H4F3NO3S2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide
PubChem CID67314937
Molecular FormulaC6H4F3NO3S2
Molecular Weight259.23 g/mol
Exact Mass258.96
IUPAC Name3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sccc1C(=O)C(F)(F)F
InChIInChI=1S/C6H4F3NO3S2/c7-6(8,9)4(11)3-1-2-14-5(3)15(10,12)13/h1-2H,(H2,10,12,13)
InChIKeyWOZXDHKYRDGDEL-UHFFFAOYSA-N
XLogP1.14
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide?
The IUPAC name of 3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide (CID 67314937) is 3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide is NS(=O)(=O)c1sccc1C(=O)C(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide?
The InChIKey is WOZXDHKYRDGDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3S2/c7-6(8,9)4(11)3-1-2-14-5(3)15(10,12)13/h1-2H,(H2,10,12,13).
What are the key properties of 3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide?
3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide has a molecular weight of 259.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide is sourced from PubChem (CID 67314937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).