N-(trifluoromethylsulfonyl)thiophene-2-carboxamide

C6H4F3NO3S2 — CID 155621229

IUPACN-(trifluoromethylsulfonyl)thiophene-2-carboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C6H4F3NO3S2/c7-6(8,9)15(12,13)10-5(11)4-2-1-3-14-4/h1-3H,(H,10,11)
InChIKeyBXCUEEDICXMIEY-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.33
Rot. Bonds2

About N-(trifluoromethylsulfonyl)thiophene-2-carboxamide

N-(trifluoromethylsulfonyl)thiophene-2-carboxamide (PubChem CID 155621229) has the molecular formula C6H4F3NO3S2 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)thiophene-2-carboxamide
PubChem CID155621229
Molecular FormulaC6H4F3NO3S2
Molecular Weight259.23 g/mol
Exact Mass258.96
IUPAC NameN-(trifluoromethylsulfonyl)thiophene-2-carboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C6H4F3NO3S2/c7-6(8,9)15(12,13)10-5(11)4-2-1-3-14-4/h1-3H,(H,10,11)
InChIKeyBXCUEEDICXMIEY-UHFFFAOYSA-N
XLogP1.33
TPSA63.24 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfonyl)thiophene-2-carboxamide?
The IUPAC name of N-(trifluoromethylsulfonyl)thiophene-2-carboxamide (CID 155621229) is N-(trifluoromethylsulfonyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)thiophene-2-carboxamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)thiophene-2-carboxamide is O=C(NS(=O)(=O)C(F)(F)F)c1cccs1.
What is the InChIKey of N-(trifluoromethylsulfonyl)thiophene-2-carboxamide?
The InChIKey is BXCUEEDICXMIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3S2/c7-6(8,9)15(12,13)10-5(11)4-2-1-3-14-4/h1-3H,(H,10,11).
What are the key properties of N-(trifluoromethylsulfonyl)thiophene-2-carboxamide?
N-(trifluoromethylsulfonyl)thiophene-2-carboxamide has a molecular weight of 259.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)thiophene-2-carboxamide is sourced from PubChem (CID 155621229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).