4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide

C23H19NO8S — CID 170661278

IUPAC4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(Oc2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C23H19NO8S/c1-31-11-10-24-33(29,30)14-8-6-13(7-9-14)32-18-12-17(25)19-20(23(18)28)22(27)16-5-3-2-4-15(16)21(19)26/h2-9,12,24-25,28H,10-11H2,1H3
InChIKeyHUNADMVCAZGIJD-UHFFFAOYSA-N
MW469.47 g/mol
LogP2.59
Rot. Bonds7

About 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide

4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 170661278) has the molecular formula C23H19NO8S and a molecular weight of 469.47 g/mol. Its IUPAC name is 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID170661278
Molecular FormulaC23H19NO8S
Molecular Weight469.47 g/mol
Exact Mass469.08
IUPAC Name4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(Oc2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C23H19NO8S/c1-31-11-10-24-33(29,30)14-8-6-13(7-9-14)32-18-12-17(25)19-20(23(18)28)22(27)16-5-3-2-4-15(16)21(19)26/h2-9,12,24-25,28H,10-11H2,1H3
InChIKeyHUNADMVCAZGIJD-UHFFFAOYSA-N
XLogP2.59
TPSA139.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 53405187
N-[2-(2-methoxyethylamino)ethyl]-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 120717957
2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873475
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 24584227
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 1281323
N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
CID 119972685
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide (CID 170661278) is 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(Oc2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is HUNADMVCAZGIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO8S/c1-31-11-10-24-33(29,30)14-8-6-13(7-9-14)32-18-12-17(25)19-20(23(18)28)22(27)16-5-3-2-4-15(16)21(19)26/h2-9,12,24-25,28H,10-11H2,1H3.
What are the key properties of 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide?
4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 469.47 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)oxy-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 170661278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).