N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide

C19H19F3N4O3S — CID 67402058

IUPACN-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2nc1OC(c1ccc(C)nc1)C(F)(F)F
InChIInChI=1S/C19H19F3N4O3S/c1-3-10-30(27,28)26-17-18(25-15-7-5-4-6-14(15)24-17)29-16(19(20,21)22)13-9-8-12(2)23-11-13/h4-9,11,16H,3,10H2,1-2H3,(H,24,26)
InChIKeySXDMCQJUIJCVRT-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.17
Rot. Bonds7

About N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide

N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide (PubChem CID 67402058) has the molecular formula C19H19F3N4O3S and a molecular weight of 440.45 g/mol. Its IUPAC name is N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide
PubChem CID67402058
Molecular FormulaC19H19F3N4O3S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC NameN-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2nc1OC(c1ccc(C)nc1)C(F)(F)F
InChIInChI=1S/C19H19F3N4O3S/c1-3-10-30(27,28)26-17-18(25-15-7-5-4-6-14(15)24-17)29-16(19(20,21)22)13-9-8-12(2)23-11-13/h4-9,11,16H,3,10H2,1-2H3,(H,24,26)
InChIKeySXDMCQJUIJCVRT-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide (CID 67402058) is N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1nc2ccccc2nc1OC(c1ccc(C)nc1)C(F)(F)F.
What is the InChIKey of N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide?
The InChIKey is SXDMCQJUIJCVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S/c1-3-10-30(27,28)26-17-18(25-15-7-5-4-6-14(15)24-17)29-16(19(20,21)22)13-9-8-12(2)23-11-13/h4-9,11,16H,3,10H2,1-2H3,(H,24,26).
What are the key properties of N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide?
N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide has a molecular weight of 440.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 67402058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).