5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide

C8H6F4N2O2S2 — CID 106292782

IUPAC5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)(F)C(F)F)s1
InChIInChI=1S/C8H6F4N2O2S2/c9-7(10)8(11,12)4-14-18(15,16)6-2-1-5(3-13)17-6/h1-2,7,14H,4H2
InChIKeyIUYLUYBGJKCSPA-UHFFFAOYSA-N
MW302.27 g/mol
LogP1.80
Rot. Bonds5

About 5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide

5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide (PubChem CID 106292782) has the molecular formula C8H6F4N2O2S2 and a molecular weight of 302.27 g/mol. Its IUPAC name is 5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
PubChem CID106292782
Molecular FormulaC8H6F4N2O2S2
Molecular Weight302.27 g/mol
Exact Mass301.98
IUPAC Name5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)(F)C(F)F)s1
InChIInChI=1S/C8H6F4N2O2S2/c9-7(10)8(11,12)4-14-18(15,16)6-2-1-5(3-13)17-6/h1-2,7,14H,4H2
InChIKeyIUYLUYBGJKCSPA-UHFFFAOYSA-N
XLogP1.80
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide (CID 106292782) is 5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCC(F)(F)C(F)F)s1.
What is the InChIKey of 5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide?
The InChIKey is IUYLUYBGJKCSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O2S2/c9-7(10)8(11,12)4-14-18(15,16)6-2-1-5(3-13)17-6/h1-2,7,14H,4H2.
What are the key properties of 5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide?
5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide has a molecular weight of 302.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106292782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).