N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide

C11H10ClF3N4O3S — CID 10970705

IUPACN-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide
SMILESO=C1C(NS(=O)(=O)C(F)(F)F)=NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H10ClF3N4O3S/c12-8-2-1-7(5-17-8)6-19-4-3-16-9(10(19)20)18-23(21,22)11(13,14)15/h1-2,5H,3-4,6H2,(H,16,18)
InChIKeyFJGCLDWOAOIAEJ-UHFFFAOYSA-N
MW370.74 g/mol
LogP0.91
Rot. Bonds3

About N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide

N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 10970705) has the molecular formula C11H10ClF3N4O3S and a molecular weight of 370.74 g/mol. Its IUPAC name is N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID10970705
Molecular FormulaC11H10ClF3N4O3S
Molecular Weight370.74 g/mol
Exact Mass370.01
IUPAC NameN-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide
SMILESO=C1C(NS(=O)(=O)C(F)(F)F)=NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H10ClF3N4O3S/c12-8-2-1-7(5-17-8)6-19-4-3-16-9(10(19)20)18-23(21,22)11(13,14)15/h1-2,5H,3-4,6H2,(H,16,18)
InChIKeyFJGCLDWOAOIAEJ-UHFFFAOYSA-N
XLogP0.91
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.74
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide (CID 10970705) is N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide is O=C1C(NS(=O)(=O)C(F)(F)F)=NCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is FJGCLDWOAOIAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O3S/c12-8-2-1-7(5-17-8)6-19-4-3-16-9(10(19)20)18-23(21,22)11(13,14)15/h1-2,5H,3-4,6H2,(H,16,18).
What are the key properties of N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide?
N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 370.74 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-chloro-3-pyridinyl)methyl]-6-oxo-2,3-dihydropyrazin-5-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 10970705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).