2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide

C10H11F4NO3S — CID 155578405

IUPAC2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide
SMILESCCOc1c(F)c(F)c(F)c(F)c1S(=O)(=O)N(C)C
InChIInChI=1S/C10H11F4NO3S/c1-4-18-9-7(13)5(11)6(12)8(14)10(9)19(16,17)15(2)3/h4H2,1-3H3
InChIKeyZVZWVKJXCADOFX-UHFFFAOYSA-N
MW301.26 g/mol
LogP1.89
Rot. Bonds4

About 2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide

2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide (PubChem CID 155578405) has the molecular formula C10H11F4NO3S and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide
PubChem CID155578405
Molecular FormulaC10H11F4NO3S
Molecular Weight301.26 g/mol
Exact Mass301.04
IUPAC Name2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide
SMILESCCOc1c(F)c(F)c(F)c(F)c1S(=O)(=O)N(C)C
InChIInChI=1S/C10H11F4NO3S/c1-4-18-9-7(13)5(11)6(12)8(14)10(9)19(16,17)15(2)3/h4H2,1-3H3
InChIKeyZVZWVKJXCADOFX-UHFFFAOYSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide (CID 155578405) is 2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide is CCOc1c(F)c(F)c(F)c(F)c1S(=O)(=O)N(C)C.
What is the InChIKey of 2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZVZWVKJXCADOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO3S/c1-4-18-9-7(13)5(11)6(12)8(14)10(9)19(16,17)15(2)3/h4H2,1-3H3.
What are the key properties of 2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide?
2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide has a molecular weight of 301.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,4,5,6-tetrafluoro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 155578405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).