5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C9H12F3N3O3S — CID 90100556

IUPAC5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCOc1ncc(S(=O)(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C9H12F3N3O3S/c1-2-18-8-7(13)3-6(4-14-8)19(16,17)15-5-9(10,11)12/h3-4,15H,2,5,13H2,1H3
InChIKeyYRGHFXKMMXITIH-UHFFFAOYSA-N
MW299.27 g/mol
LogP0.90
Rot. Bonds5

About 5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 90100556) has the molecular formula C9H12F3N3O3S and a molecular weight of 299.27 g/mol. Its IUPAC name is 5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID90100556
Molecular FormulaC9H12F3N3O3S
Molecular Weight299.27 g/mol
Exact Mass299.06
IUPAC Name5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCOc1ncc(S(=O)(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C9H12F3N3O3S/c1-2-18-8-7(13)3-6(4-14-8)19(16,17)15-5-9(10,11)12/h3-4,15H,2,5,13H2,1H3
InChIKeyYRGHFXKMMXITIH-UHFFFAOYSA-N
XLogP0.90
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 90100556) is 5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CCOc1ncc(S(=O)(=O)NCC(F)(F)F)cc1N.
What is the InChIKey of 5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is YRGHFXKMMXITIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O3S/c1-2-18-8-7(13)3-6(4-14-8)19(16,17)15-5-9(10,11)12/h3-4,15H,2,5,13H2,1H3.
What are the key properties of 5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 299.27 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-ethoxy-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 90100556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).