N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C12H11F3N4O2S — CID 75453649

IUPACN-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(Cc1cnccn1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H11F3N4O2S/c1-19(8-9-6-16-4-5-17-9)22(20,21)10-2-3-11(18-7-10)12(13,14)15/h2-7H,8H2,1H3
InChIKeyNJWGBGLCNXNLGY-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.71
Rot. Bonds4

About N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 75453649) has the molecular formula C12H11F3N4O2S and a molecular weight of 332.31 g/mol. Its IUPAC name is N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID75453649
Molecular FormulaC12H11F3N4O2S
Molecular Weight332.31 g/mol
Exact Mass332.06
IUPAC NameN-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(Cc1cnccn1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H11F3N4O2S/c1-19(8-9-6-16-4-5-17-9)22(20,21)10-2-3-11(18-7-10)12(13,14)15/h2-7H,8H2,1H3
InChIKeyNJWGBGLCNXNLGY-UHFFFAOYSA-N
XLogP1.71
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 75453649) is N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is CN(Cc1cnccn1)S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is NJWGBGLCNXNLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2S/c1-19(8-9-6-16-4-5-17-9)22(20,21)10-2-3-11(18-7-10)12(13,14)15/h2-7H,8H2,1H3.
What are the key properties of N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 332.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 75453649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).