6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide

C9H11F3N2O4S — CID 63832305

IUPAC6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCCOCC(F)(F)F)c[nH]1
InChIInChI=1S/C9H11F3N2O4S/c10-9(11,12)6-18-4-3-14-19(16,17)7-1-2-8(15)13-5-7/h1-2,5,14H,3-4,6H2,(H,13,15)
InChIKeyZRUPVWBSLMNLHP-UHFFFAOYSA-N
MW300.26 g/mol
LogP0.23
Rot. Bonds6

About 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide

6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide (PubChem CID 63832305) has the molecular formula C9H11F3N2O4S and a molecular weight of 300.26 g/mol. Its IUPAC name is 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide
PubChem CID63832305
Molecular FormulaC9H11F3N2O4S
Molecular Weight300.26 g/mol
Exact Mass300.04
IUPAC Name6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCCOCC(F)(F)F)c[nH]1
InChIInChI=1S/C9H11F3N2O4S/c10-9(11,12)6-18-4-3-14-19(16,17)7-1-2-8(15)13-5-7/h1-2,5,14H,3-4,6H2,(H,13,15)
InChIKeyZRUPVWBSLMNLHP-UHFFFAOYSA-N
XLogP0.23
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide (CID 63832305) is 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)NCCOCC(F)(F)F)c[nH]1.
What is the InChIKey of 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide?
The InChIKey is ZRUPVWBSLMNLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4S/c10-9(11,12)6-18-4-3-14-19(16,17)7-1-2-8(15)13-5-7/h1-2,5,14H,3-4,6H2,(H,13,15).
What are the key properties of 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide?
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide has a molecular weight of 300.26 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 63832305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).