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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Related Compounds

5-Methanesulfonylthiophene-2-carbonitrile
CID 121553521
N-(cyanomethyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 75484819
5-cyano-2-fluoro-N,N-bis(trifluoromethyl)thiophene-3-sulfonamide
CID 178613926
1-(5-Methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 49720683
N-(2-cyanoethyl)-4,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 86807303
N-(2-cyanoethyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 86819240
5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide
CID 106266014
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267890
5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267891
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267892
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106268136

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).