N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide

C12H11F3N4O3S — CID 146143811

IUPACN-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCOc1cncc(NS(=O)(=O)c2cccnc2C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O3S/c1-2-22-10-7-16-6-9(18-10)19-23(20,21)8-4-3-5-17-11(8)12(13,14)15/h3-7H,2H2,1H3,(H,18,19)
InChIKeyMNYYGPXAZZGJGT-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.09
Rot. Bonds5

About N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide

N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 146143811) has the molecular formula C12H11F3N4O3S and a molecular weight of 348.31 g/mol. Its IUPAC name is N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID146143811
Molecular FormulaC12H11F3N4O3S
Molecular Weight348.31 g/mol
Exact Mass348.05
IUPAC NameN-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCOc1cncc(NS(=O)(=O)c2cccnc2C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O3S/c1-2-22-10-7-16-6-9(18-10)19-23(20,21)8-4-3-5-17-11(8)12(13,14)15/h3-7H,2H2,1H3,(H,18,19)
InChIKeyMNYYGPXAZZGJGT-UHFFFAOYSA-N
XLogP2.09
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide (CID 146143811) is N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide is CCOc1cncc(NS(=O)(=O)c2cccnc2C(F)(F)F)n1.
What is the InChIKey of N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is MNYYGPXAZZGJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3S/c1-2-22-10-7-16-6-9(18-10)19-23(20,21)8-4-3-5-17-11(8)12(13,14)15/h3-7H,2H2,1H3,(H,18,19).
What are the key properties of N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide?
N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 348.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxypyrazin-2-yl)-2-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 146143811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).