N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide

C13H14F3N3O4S — CID 22097023

IUPACN-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCOc1nc2cc(C)c(C)c(NS(=O)(=O)C(F)(F)F)c2nc1OC
InChIInChI=1S/C13H14F3N3O4S/c1-6-5-8-10(18-12(23-4)11(17-8)22-3)9(7(6)2)19-24(20,21)13(14,15)16/h5,19H,1-4H3
InChIKeyWCGMILJUIHHYGL-UHFFFAOYSA-N
MW365.33 g/mol
LogP2.53
Rot. Bonds4

About N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide

N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 22097023) has the molecular formula C13H14F3N3O4S and a molecular weight of 365.33 g/mol. Its IUPAC name is N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID22097023
Molecular FormulaC13H14F3N3O4S
Molecular Weight365.33 g/mol
Exact Mass365.07
IUPAC NameN-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCOc1nc2cc(C)c(C)c(NS(=O)(=O)C(F)(F)F)c2nc1OC
InChIInChI=1S/C13H14F3N3O4S/c1-6-5-8-10(18-12(23-4)11(17-8)22-3)9(7(6)2)19-24(20,21)13(14,15)16/h5,19H,1-4H3
InChIKeyWCGMILJUIHHYGL-UHFFFAOYSA-N
XLogP2.53
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide (CID 22097023) is N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide is COc1nc2cc(C)c(C)c(NS(=O)(=O)C(F)(F)F)c2nc1OC.
What is the InChIKey of N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is WCGMILJUIHHYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O4S/c1-6-5-8-10(18-12(23-4)11(17-8)22-3)9(7(6)2)19-24(20,21)13(14,15)16/h5,19H,1-4H3.
What are the key properties of N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide?
N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 365.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 22097023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).