4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide

C22H20N2O6S — CID 21144020

IUPAC4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide
SMILESCOc1ccc2nc3ccc(OC)cc3c(S(=O)(=O)Cc3ccc([NH+]([O-])O)cc3)c2c1
InChIInChI=1S/C22H20N2O6S/c1-29-16-7-9-20-18(11-16)22(19-12-17(30-2)8-10-21(19)23-20)31(27,28)13-14-3-5-15(6-4-14)24(25)26/h3-12,24-25H,13H2,1-2H3
InChIKeyLCSVBADQIBPXDU-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.78
Rot. Bonds6

About 4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide

4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide (PubChem CID 21144020) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is 4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide
PubChem CID21144020
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide
SMILESCOc1ccc2nc3ccc(OC)cc3c(S(=O)(=O)Cc3ccc([NH+]([O-])O)cc3)c2c1
InChIInChI=1S/C22H20N2O6S/c1-29-16-7-9-20-18(11-16)22(19-12-17(30-2)8-10-21(19)23-20)31(27,28)13-14-3-5-15(6-4-14)24(25)26/h3-12,24-25H,13H2,1-2H3
InChIKeyLCSVBADQIBPXDU-UHFFFAOYSA-N
XLogP2.78
TPSA113.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-7-methoxy-9-[4-(pyrimidin-2-ylsulfamoyl)anilino]acridin-3-amine oxide
CID 21143751
1-methoxy-4-[[4-[4-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]phenyl]phenyl]sulfonylmethyl]benzene
CID 160857986
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987
9-(2-carboxyethylamino)-N-hydroxy-7-methoxyacridin-1-amine oxide
CID 21142831
5-[(4-methoxyphenyl)methylsulfonyl]furan-2-carboxylic acid
CID 63941435
dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane
CID 90224558
9-(benzenesulfonyl)-6-chloro-2-methoxyacridine
CID 11417730
(6-methoxy-4-methylquinolin-2-yl)methanol
CID 82576399
4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol
CID 81206980
3-chloro-4-[(4-methoxyphenyl)methylsulfonyl]aniline
CID 81182142
4-chloro-6-methoxycinnoline-3-carboxylic acid
CID 83898135
[6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone
CID 2137538

Frequently Asked Questions

What is the IUPAC name of 4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide?
The IUPAC name of 4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide (CID 21144020) is 4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide?
The canonical SMILES for 4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide is COc1ccc2nc3ccc(OC)cc3c(S(=O)(=O)Cc3ccc([NH+]([O-])O)cc3)c2c1.
What is the InChIKey of 4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide?
The InChIKey is LCSVBADQIBPXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-29-16-7-9-20-18(11-16)22(19-12-17(30-2)8-10-21(19)23-20)31(27,28)13-14-3-5-15(6-4-14)24(25)26/h3-12,24-25H,13H2,1-2H3.
What are the key properties of 4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide?
4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide has a molecular weight of 440.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,7-dimethoxyacridin-9-yl)sulfonylmethyl]-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 21144020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).