9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide

C22H20N4O6S — CID 21143747

IUPAC9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide
SMILESCOc1cccc2c(Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccc([NH+]([O-])O)cc3nc12
InChIInChI=1S/C22H20N4O6S/c1-13(27)25-33(30,31)16-9-6-14(7-10-16)23-21-17-11-8-15(26(28)29)12-19(17)24-22-18(21)4-3-5-20(22)32-2/h3-12,26,28H,1-2H3,(H,23,24)(H,25,27)
InChIKeyJQSCFDMAXHLYRU-UHFFFAOYSA-N
MW468.49 g/mol
LogP2.37
Rot. Bonds6

About 9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide

9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide (PubChem CID 21143747) has the molecular formula C22H20N4O6S and a molecular weight of 468.49 g/mol. Its IUPAC name is 9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide.

Molecular Properties

Compound Name9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide
PubChem CID21143747
Molecular FormulaC22H20N4O6S
Molecular Weight468.49 g/mol
Exact Mass468.11
IUPAC Name9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide
SMILESCOc1cccc2c(Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccc([NH+]([O-])O)cc3nc12
InChIInChI=1S/C22H20N4O6S/c1-13(27)25-33(30,31)16-9-6-14(7-10-16)23-21-17-11-8-15(26(28)29)12-19(17)24-22-18(21)4-3-5-20(22)32-2/h3-12,26,28H,1-2H3,(H,23,24)(H,25,27)
InChIKeyJQSCFDMAXHLYRU-UHFFFAOYSA-N
XLogP2.37
TPSA145.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide
CID 21143751
[2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid
CID 91007171
1-[4-[(4-methoxyacridin-9-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 127037355
1-(5-methoxy-3-nitroacridin-9-yl)-2-(4-nitrophenyl)hydrazine
CID 10597407
5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine
CID 10499695
N-[4-(acetylsulfamoyl)phenyl]-2-methoxybenzamide
CID 803307
9-[4-[3-(diaminomethylideneamino)propylsulfonylamino]anilino]-N-hydroxyacridin-3-amine oxide
CID 21157256
N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide
CID 22693251
4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 14052838
N-[4-(acetylsulfamoyl)phenyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785373
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
CID 10501408
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-4-bromo-3-methoxynaphthalene-2-carboxamide
CID 17315466

Frequently Asked Questions

What is the IUPAC name of 9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide?
The IUPAC name of 9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide (CID 21143747) is 9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide.
What is the SMILES notation for 9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide?
The canonical SMILES for 9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide is COc1cccc2c(Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccc([NH+]([O-])O)cc3nc12.
What is the InChIKey of 9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide?
The InChIKey is JQSCFDMAXHLYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O6S/c1-13(27)25-33(30,31)16-9-6-14(7-10-16)23-21-17-11-8-15(26(28)29)12-19(17)24-22-18(21)4-3-5-20(22)32-2/h3-12,26,28H,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide?
9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide has a molecular weight of 468.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide is sourced from PubChem (CID 21143747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).