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

C9H10ClF3N2O4S — CID 64607150

IUPAC5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NCCOCC(F)(F)F)cc1Cl
InChIInChI=1S/C9H10ClF3N2O4S/c10-7-3-6(4-14-8(7)16)20(17,18)15-1-2-19-5-9(11,12)13/h3-4,15H,1-2,5H2,(H,14,16)
InChIKeyGWZRYKYSQODKGW-UHFFFAOYSA-N
MW334.70 g/mol
LogP0.89
Rot. Bonds6

About 5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide

5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide (PubChem CID 64607150) has the molecular formula C9H10ClF3N2O4S and a molecular weight of 334.70 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide
PubChem CID64607150
Molecular FormulaC9H10ClF3N2O4S
Molecular Weight334.70 g/mol
Exact Mass334.00
IUPAC Name5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NCCOCC(F)(F)F)cc1Cl
InChIInChI=1S/C9H10ClF3N2O4S/c10-7-3-6(4-14-8(7)16)20(17,18)15-1-2-19-5-9(11,12)13/h3-4,15H,1-2,5H2,(H,14,16)
InChIKeyGWZRYKYSQODKGW-UHFFFAOYSA-N
XLogP0.89
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.70
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide (CID 64607150) is 5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide is O=c1[nH]cc(S(=O)(=O)NCCOCC(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide?
The InChIKey is GWZRYKYSQODKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O4S/c10-7-3-6(4-14-8(7)16)20(17,18)15-1-2-19-5-9(11,12)13/h3-4,15H,1-2,5H2,(H,14,16).
What are the key properties of 5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide?
5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide has a molecular weight of 334.70 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64607150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).