2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide

C8H10F3NO3S2 — CID 82715819

IUPAC2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NOCC(F)(F)F)c(C)s1
InChIInChI=1S/C8H10F3NO3S2/c1-5-3-7(6(2)16-5)17(13,14)12-15-4-8(9,10)11/h3,12H,4H2,1-2H3
InChIKeyVVGQUHOUHMZABK-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.14
Rot. Bonds4

About 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide

2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide (PubChem CID 82715819) has the molecular formula C8H10F3NO3S2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide
PubChem CID82715819
Molecular FormulaC8H10F3NO3S2
Molecular Weight289.30 g/mol
Exact Mass289.01
IUPAC Name2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NOCC(F)(F)F)c(C)s1
InChIInChI=1S/C8H10F3NO3S2/c1-5-3-7(6(2)16-5)17(13,14)12-15-4-8(9,10)11/h3,12H,4H2,1-2H3
InChIKeyVVGQUHOUHMZABK-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide (CID 82715819) is 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NOCC(F)(F)F)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide?
The InChIKey is VVGQUHOUHMZABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3S2/c1-5-3-7(6(2)16-5)17(13,14)12-15-4-8(9,10)11/h3,12H,4H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide?
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide has a molecular weight of 289.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide is sourced from PubChem (CID 82715819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).