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

C20H15BrN4O3S — CID 23075921

IUPAC4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1OCc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN4O3S/c21-15-5-7-16(8-6-15)29(26,27)25-19-20(28-13-14-9-11-22-12-10-14)24-18-4-2-1-3-17(18)23-19/h1-12H,13H2,(H,23,25)
InChIKeyLKOFTKXAOVCKPJ-UHFFFAOYSA-N
MW471.34 g/mol
LogP4.17
Rot. Bonds6

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

4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 23075921) has the molecular formula C20H15BrN4O3S and a molecular weight of 471.34 g/mol. Its IUPAC name is 4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
PubChem CID23075921
Molecular FormulaC20H15BrN4O3S
Molecular Weight471.34 g/mol
Exact Mass470.00
IUPAC Name4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1OCc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN4O3S/c21-15-5-7-16(8-6-15)29(26,27)25-19-20(28-13-14-9-11-22-12-10-14)24-18-4-2-1-3-17(18)23-19/h1-12H,13H2,(H,23,25)
InChIKeyLKOFTKXAOVCKPJ-UHFFFAOYSA-N
XLogP4.17
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076027
4-fluoro-N-[3-(pyridin-3-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075789
4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076089
4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076249
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075922
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
4-bromo-N-[3-[(4-fluorophenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 25045627
4-bromo-N-(3-isoquinolin-2-ium-2-ylquinoxalin-2-yl)benzenesulfonamide
CID 2320587
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075817

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide (CID 23075921) is 4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1OCc1ccncc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is LKOFTKXAOVCKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3S/c21-15-5-7-16(8-6-15)29(26,27)25-19-20(28-13-14-9-11-22-12-10-14)24-18-4-2-1-3-17(18)23-19/h1-12H,13H2,(H,23,25).
What are the key properties of 4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide?
4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 471.34 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23075921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).