2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide

C19H19F3N4O3S — CID 54596610

IUPAC2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1nc2ccccc2nc1OC(c1ccncc1)C(F)(F)F
InChIInChI=1S/C19H19F3N4O3S/c1-12(2)11-30(27,28)26-17-18(25-15-6-4-3-5-14(15)24-17)29-16(19(20,21)22)13-7-9-23-10-8-13/h3-10,12,16H,11H2,1-2H3,(H,24,26)
InChIKeyHGJUHGXKPHMOTB-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.10
Rot. Bonds7

About 2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide

2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide (PubChem CID 54596610) has the molecular formula C19H19F3N4O3S and a molecular weight of 440.45 g/mol. Its IUPAC name is 2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide
PubChem CID54596610
Molecular FormulaC19H19F3N4O3S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC Name2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1nc2ccccc2nc1OC(c1ccncc1)C(F)(F)F
InChIInChI=1S/C19H19F3N4O3S/c1-12(2)11-30(27,28)26-17-18(25-15-6-4-3-5-14(15)24-17)29-16(19(20,21)22)13-7-9-23-10-8-13/h3-10,12,16H,11H2,1-2H3,(H,24,26)
InChIKeyHGJUHGXKPHMOTB-UHFFFAOYSA-N
XLogP4.10
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide (CID 54596610) is 2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1nc2ccccc2nc1OC(c1ccncc1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide?
The InChIKey is HGJUHGXKPHMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S/c1-12(2)11-30(27,28)26-17-18(25-15-6-4-3-5-14(15)24-17)29-16(19(20,21)22)13-7-9-23-10-8-13/h3-10,12,16H,11H2,1-2H3,(H,24,26).
What are the key properties of 2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide?
2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide has a molecular weight of 440.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 54596610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).