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

C7H5F3N2O2S2 — CID 106267146

IUPAC5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)(F)F)s1
InChIInChI=1S/C7H5F3N2O2S2/c8-7(9,10)4-12-16(13,14)6-2-1-5(3-11)15-6/h1-2,12H,4H2
InChIKeyANJPXKBPGRURAK-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.46
Rot. Bonds3

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

5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 106267146) has the molecular formula C7H5F3N2O2S2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID106267146
Molecular FormulaC7H5F3N2O2S2
Molecular Weight270.26 g/mol
Exact Mass269.97
IUPAC Name5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)(F)F)s1
InChIInChI=1S/C7H5F3N2O2S2/c8-7(9,10)4-12-16(13,14)6-2-1-5(3-11)15-6/h1-2,12H,4H2
InChIKeyANJPXKBPGRURAK-UHFFFAOYSA-N
XLogP1.46
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 114166516
5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 106268267
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106428781
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
5-cyano-N-(cyclopentylmethyl)thiophene-2-sulfonamide
CID 106267298
5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106266850
5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide
CID 106269784
5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114166198

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 106267146) is 5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCC(F)(F)F)s1.
What is the InChIKey of 5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is ANJPXKBPGRURAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2S2/c8-7(9,10)4-12-16(13,14)6-2-1-5(3-11)15-6/h1-2,12H,4H2.
What are the key properties of 5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 270.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106267146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).