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

C19H19F3N4O3S — CID 71294234

IUPACN-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1nc2ccccc2nc1OC(c1ccncc1)C(F)(F)F
InChIInChI=1S/C19H19F3N4O3S/c1-2-3-12-30(27,28)26-17-18(25-15-7-5-4-6-14(15)24-17)29-16(19(20,21)22)13-8-10-23-11-9-13/h4-11,16H,2-3,12H2,1H3,(H,24,26)
InChIKeyLTHRTHOOUMYDCU-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.25
Rot. Bonds8

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

N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide (PubChem CID 71294234) 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-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide
PubChem CID71294234
Molecular FormulaC19H19F3N4O3S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC NameN-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1nc2ccccc2nc1OC(c1ccncc1)C(F)(F)F
InChIInChI=1S/C19H19F3N4O3S/c1-2-3-12-30(27,28)26-17-18(25-15-7-5-4-6-14(15)24-17)29-16(19(20,21)22)13-8-10-23-11-9-13/h4-11,16H,2-3,12H2,1H3,(H,24,26)
InChIKeyLTHRTHOOUMYDCU-UHFFFAOYSA-N
XLogP4.25
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-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-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide?
The IUPAC name of N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide (CID 71294234) is N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide?
The canonical SMILES for N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1nc2ccccc2nc1OC(c1ccncc1)C(F)(F)F.
What is the InChIKey of N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide?
The InChIKey is LTHRTHOOUMYDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S/c1-2-3-12-30(27,28)26-17-18(25-15-7-5-4-6-14(15)24-17)29-16(19(20,21)22)13-8-10-23-11-9-13/h4-11,16H,2-3,12H2,1H3,(H,24,26).
What are the key properties of N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide?
N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide has a molecular weight of 440.45 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoro-1-pyridin-4-ylethoxy)quinoxalin-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 71294234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).