5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C8H7F3N2O2S2 — CID 106267435

IUPAC5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C8H7F3N2O2S2/c1-13(5-8(9,10)11)17(14,15)7-3-2-6(4-12)16-7/h2-3H,5H2,1H3
InChIKeyFCBSNIPQNJYNEP-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.80
Rot. Bonds3

About 5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 106267435) has the molecular formula C8H7F3N2O2S2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID106267435
Molecular FormulaC8H7F3N2O2S2
Molecular Weight284.28 g/mol
Exact Mass283.99
IUPAC Name5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C8H7F3N2O2S2/c1-13(5-8(9,10)11)17(14,15)7-3-2-6(4-12)16-7/h2-3H,5H2,1H3
InChIKeyFCBSNIPQNJYNEP-UHFFFAOYSA-N
XLogP1.80
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 106267435) is 5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is FCBSNIPQNJYNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2S2/c1-13(5-8(9,10)11)17(14,15)7-3-2-6(4-12)16-7/h2-3H,5H2,1H3.
What are the key properties of 5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 284.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106267435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).