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

C18H18F2N4O3S — CID 54596480

IUPACN-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2nc1OC(c1cccnc1)C(F)F
InChIInChI=1S/C18H18F2N4O3S/c1-2-10-28(25,26)24-17-18(23-14-8-4-3-7-13(14)22-17)27-15(16(19)20)12-6-5-9-21-11-12/h3-9,11,15-16H,2,10H2,1H3,(H,22,24)
InChIKeyLYUNZICBYSVZDM-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.56
Rot. Bonds8

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

N-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide (PubChem CID 54596480) has the molecular formula C18H18F2N4O3S and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide
PubChem CID54596480
Molecular FormulaC18H18F2N4O3S
Molecular Weight408.43 g/mol
Exact Mass408.11
IUPAC NameN-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2nc1OC(c1cccnc1)C(F)F
InChIInChI=1S/C18H18F2N4O3S/c1-2-10-28(25,26)24-17-18(23-14-8-4-3-7-13(14)22-17)27-15(16(19)20)12-6-5-9-21-11-12/h3-9,11,15-16H,2,10H2,1H3,(H,22,24)
InChIKeyLYUNZICBYSVZDM-UHFFFAOYSA-N
XLogP3.56
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide (CID 54596480) is N-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1nc2ccccc2nc1OC(c1cccnc1)C(F)F.
What is the InChIKey of N-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide?
The InChIKey is LYUNZICBYSVZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3S/c1-2-10-28(25,26)24-17-18(23-14-8-4-3-7-13(14)22-17)27-15(16(19)20)12-6-5-9-21-11-12/h3-9,11,15-16H,2,10H2,1H3,(H,22,24).
What are the key properties of N-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide?
N-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide has a molecular weight of 408.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 54596480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).