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

C18H17F3N4O3S — CID 67401069

IUPACN-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2nc1O[C@@H](c1cccnc1)C(F)(F)F
InChIInChI=1S/C18H17F3N4O3S/c1-2-10-29(26,27)25-16-17(24-14-8-4-3-7-13(14)23-16)28-15(18(19,20)21)12-6-5-9-22-11-12/h3-9,11,15H,2,10H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyUDKSDDXNHGIWMT-HNNXBMFYSA-N
MW426.42 g/mol
LogP3.86
Rot. Bonds7

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

N-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide (PubChem CID 67401069) has the molecular formula C18H17F3N4O3S and a molecular weight of 426.42 g/mol. Its IUPAC name is N-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide
PubChem CID67401069
Molecular FormulaC18H17F3N4O3S
Molecular Weight426.42 g/mol
Exact Mass426.10
IUPAC NameN-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2nc1O[C@@H](c1cccnc1)C(F)(F)F
InChIInChI=1S/C18H17F3N4O3S/c1-2-10-29(26,27)25-16-17(24-14-8-4-3-7-13(14)23-16)28-15(18(19,20)21)12-6-5-9-22-11-12/h3-9,11,15H,2,10H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyUDKSDDXNHGIWMT-HNNXBMFYSA-N
XLogP3.86
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide (CID 67401069) is N-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1nc2ccccc2nc1O[C@@H](c1cccnc1)C(F)(F)F.
What is the InChIKey of N-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide?
The InChIKey is UDKSDDXNHGIWMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17F3N4O3S/c1-2-10-29(26,27)25-16-17(24-14-8-4-3-7-13(14)23-16)28-15(18(19,20)21)12-6-5-9-22-11-12/h3-9,11,15H,2,10H2,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of N-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide?
N-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide has a molecular weight of 426.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethoxy]quinoxalin-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 67401069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).