4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide

C23H22N4O3S — CID 23076249

IUPAC4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCc2ccccn2)cc1
InChIInChI=1S/C23H22N4O3S/c1-16(2)17-10-12-19(13-11-17)31(28,29)27-22-23(30-15-18-7-5-6-14-24-18)26-21-9-4-3-8-20(21)25-22/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeyKHGOGBJBFYKNLB-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.53
Rot. Bonds7

About 4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide

4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 23076249) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
PubChem CID23076249
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCc2ccccn2)cc1
InChIInChI=1S/C23H22N4O3S/c1-16(2)17-10-12-19(13-11-17)31(28,29)27-22-23(30-15-18-7-5-6-14-24-18)26-21-9-4-3-8-20(21)25-22/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeyKHGOGBJBFYKNLB-UHFFFAOYSA-N
XLogP4.53
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide (CID 23076249) is 4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCc2ccccn2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is KHGOGBJBFYKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-16(2)17-10-12-19(13-11-17)31(28,29)27-22-23(30-15-18-7-5-6-14-24-18)26-21-9-4-3-8-20(21)25-22/h3-14,16H,15H2,1-2H3,(H,25,27).
What are the key properties of 4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide?
4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23076249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).