N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide

C19H24F4N4O5S2 — CID 67401048

IUPACN-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2nc1OC(C(F)(F)F)C1(F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H24F4N4O5S2/c1-3-12-34(30,31)26-15-16(25-14-7-5-4-6-13(14)24-15)32-17(19(21,22)23)18(20)8-10-27(11-9-18)33(2,28)29/h4-7,17H,3,8-12H2,1-2H3,(H,24,26)
InChIKeyNPEGPCKAAHAVGR-UHFFFAOYSA-N
MW528.55 g/mol
LogP2.85
Rot. Bonds8

About N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide

N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide (PubChem CID 67401048) has the molecular formula C19H24F4N4O5S2 and a molecular weight of 528.55 g/mol. Its IUPAC name is N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide
PubChem CID67401048
Molecular FormulaC19H24F4N4O5S2
Molecular Weight528.55 g/mol
Exact Mass528.11
IUPAC NameN-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2nc1OC(C(F)(F)F)C1(F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H24F4N4O5S2/c1-3-12-34(30,31)26-15-16(25-14-7-5-4-6-13(14)24-15)32-17(19(21,22)23)18(20)8-10-27(11-9-18)33(2,28)29/h4-7,17H,3,8-12H2,1-2H3,(H,24,26)
InChIKeyNPEGPCKAAHAVGR-UHFFFAOYSA-N
XLogP2.85
TPSA118.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide (CID 67401048) is N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1nc2ccccc2nc1OC(C(F)(F)F)C1(F)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide?
The InChIKey is NPEGPCKAAHAVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F4N4O5S2/c1-3-12-34(30,31)26-15-16(25-14-7-5-4-6-13(14)24-15)32-17(19(21,22)23)18(20)8-10-27(11-9-18)33(2,28)29/h4-7,17H,3,8-12H2,1-2H3,(H,24,26).
What are the key properties of N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide?
N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide has a molecular weight of 528.55 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethoxy]quinoxalin-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 67401048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).