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

C7H5F3N2O3S2 — CID 106266014

IUPAC5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NOCC(F)(F)F)s1
InChIInChI=1S/C7H5F3N2O3S2/c8-7(9,10)4-15-12-17(13,14)6-2-1-5(3-11)16-6/h1-2,12H,4H2
InChIKeyDLIQKNKFOHEHJX-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.39
Rot. Bonds4

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

5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide (PubChem CID 106266014) has the molecular formula C7H5F3N2O3S2 and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide
PubChem CID106266014
Molecular FormulaC7H5F3N2O3S2
Molecular Weight286.26 g/mol
Exact Mass285.97
IUPAC Name5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NOCC(F)(F)F)s1
InChIInChI=1S/C7H5F3N2O3S2/c8-7(9,10)4-15-12-17(13,14)6-2-1-5(3-11)16-6/h1-2,12H,4H2
InChIKeyDLIQKNKFOHEHJX-UHFFFAOYSA-N
XLogP1.39
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide (CID 106266014) is 5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NOCC(F)(F)F)s1.
What is the InChIKey of 5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide?
The InChIKey is DLIQKNKFOHEHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3S2/c8-7(9,10)4-15-12-17(13,14)6-2-1-5(3-11)16-6/h1-2,12H,4H2.
What are the key properties of 5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide?
5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide has a molecular weight of 286.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide is sourced from PubChem (CID 106266014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).