2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide

C23H19Cl2FN4O3S — CID 67401945

IUPAC2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCC(C)(F)C(Oc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1Cl)c1cccnc1
InChIInChI=1S/C23H19Cl2FN4O3S/c1-23(2,26)20(14-7-6-12-27-13-14)33-22-21(28-16-9-3-4-10-17(16)29-22)30-34(31,32)18-11-5-8-15(24)19(18)25/h3-13,20H,1-2H3,(H,28,30)
InChIKeyRKJJAJQFMDFPLO-UHFFFAOYSA-N
MW521.40 g/mol
LogP6.00
Rot. Bonds7

About 2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide

2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 67401945) has the molecular formula C23H19Cl2FN4O3S and a molecular weight of 521.40 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
PubChem CID67401945
Molecular FormulaC23H19Cl2FN4O3S
Molecular Weight521.40 g/mol
Exact Mass520.05
IUPAC Name2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCC(C)(F)C(Oc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1Cl)c1cccnc1
InChIInChI=1S/C23H19Cl2FN4O3S/c1-23(2,26)20(14-7-6-12-27-13-14)33-22-21(28-16-9-3-4-10-17(16)29-22)30-34(31,32)18-11-5-8-15(24)19(18)25/h3-13,20H,1-2H3,(H,28,30)
InChIKeyRKJJAJQFMDFPLO-UHFFFAOYSA-N
XLogP6.00
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.40
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide (CID 67401945) is 2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide is CC(C)(F)C(Oc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1Cl)c1cccnc1.
What is the InChIKey of 2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is RKJJAJQFMDFPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN4O3S/c1-23(2,26)20(14-7-6-12-27-13-14)33-22-21(28-16-9-3-4-10-17(16)29-22)30-34(31,32)18-11-5-8-15(24)19(18)25/h3-13,20H,1-2H3,(H,28,30).
What are the key properties of 2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide?
2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 521.40 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-(2-fluoro-2-methyl-1-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 67401945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).