N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine

C23H21N3O6S — CID 152888652

IUPACN-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine
SMILESCOc1cc(OC)cc(Oc2nc3ccccc3nc2CS(=O)(=O)c2cccc(NO)c2)c1
InChIInChI=1S/C23H21N3O6S/c1-30-16-11-17(31-2)13-18(12-16)32-23-22(24-20-8-3-4-9-21(20)25-23)14-33(28,29)19-7-5-6-15(10-19)26-27/h3-13,26-27H,14H2,1-2H3
InChIKeyUCZWUFNLMUIGOU-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.21
Rot. Bonds8

About N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine

N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine (PubChem CID 152888652) has the molecular formula C23H21N3O6S and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine
PubChem CID152888652
Molecular FormulaC23H21N3O6S
Molecular Weight467.50 g/mol
Exact Mass467.12
IUPAC NameN-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine
SMILESCOc1cc(OC)cc(Oc2nc3ccccc3nc2CS(=O)(=O)c2cccc(NO)c2)c1
InChIInChI=1S/C23H21N3O6S/c1-30-16-11-17(31-2)13-18(12-16)32-23-22(24-20-8-3-4-9-21(20)25-23)14-33(28,29)19-7-5-6-15(10-19)26-27/h3-13,26-27H,14H2,1-2H3
InChIKeyUCZWUFNLMUIGOU-UHFFFAOYSA-N
XLogP4.21
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine
CID 58274304
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide
CID 58274510
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-2-morpholin-4-ylacetamide
CID 58274249
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 58274225
2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-1-(1-methylpyrrol-2-yl)ethanone
CID 58274231
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 5077969
4-[[3-(2,5-dimethoxy-3-methylanilino)quinoxalin-2-yl]methylsulfonyl]-N,N-dimethylbenzamide
CID 149259706
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
2-(3-methoxyphenoxy)-3-methylquinoxaline
CID 39999926
3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319832
3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 141211320

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine?
The IUPAC name of N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine (CID 152888652) is N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine.
What is the SMILES notation for N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine?
The canonical SMILES for N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine is COc1cc(OC)cc(Oc2nc3ccccc3nc2CS(=O)(=O)c2cccc(NO)c2)c1.
What is the InChIKey of N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine?
The InChIKey is UCZWUFNLMUIGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6S/c1-30-16-11-17(31-2)13-18(12-16)32-23-22(24-20-8-3-4-9-21(20)25-23)14-33(28,29)19-7-5-6-15(10-19)26-27/h3-13,26-27H,14H2,1-2H3.
What are the key properties of N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine?
N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine has a molecular weight of 467.50 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine is sourced from PubChem (CID 152888652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).