4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide

C23H22N4O4S — CID 23075922

IUPAC4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCCCc2cccnc2)cc1
InChIInChI=1S/C23H22N4O4S/c1-30-18-10-12-19(13-11-18)32(28,29)27-22-23(26-21-9-3-2-8-20(21)25-22)31-15-5-7-17-6-4-14-24-16-17/h2-4,6,8-14,16H,5,7,15H2,1H3,(H,25,27)
InChIKeyVVSDONQJEMWBTL-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.85
Rot. Bonds9

About 4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide

4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 23075922) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
PubChem CID23075922
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCCCc2cccnc2)cc1
InChIInChI=1S/C23H22N4O4S/c1-30-18-10-12-19(13-11-18)32(28,29)27-22-23(26-21-9-3-2-8-20(21)25-22)31-15-5-7-17-6-4-14-24-16-17/h2-4,6,8-14,16H,5,7,15H2,1H3,(H,25,27)
InChIKeyVVSDONQJEMWBTL-UHFFFAOYSA-N
XLogP3.85
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-(pyridin-3-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075789
4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 3274197
4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076027
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide
CID 51109070
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid
CID 10319970
4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075921
N-[3-(2-cyclopropylethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075854
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075774

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide (CID 23075922) is 4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCCCc2cccnc2)cc1.
What is the InChIKey of 4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is VVSDONQJEMWBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-30-18-10-12-19(13-11-18)32(28,29)27-22-23(26-21-9-3-2-8-20(21)25-22)31-15-5-7-17-6-4-14-24-16-17/h2-4,6,8-14,16H,5,7,15H2,1H3,(H,25,27).
What are the key properties of 4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide?
4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 450.52 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23075922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).