9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide

C22H17NO5S — CID 3855904

IUPAC9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide
SMILESO=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C22H17NO5S/c24-21-16-9-4-5-10-17(16)22(25)20-18(21)11-6-12-19(20)29(26,27)23-13-14-28-15-7-2-1-3-8-15/h1-12,23H,13-14H2
InChIKeyYGBZQNNLEHBRQA-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.82
Rot. Bonds6

About 9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide

9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide (PubChem CID 3855904) has the molecular formula C22H17NO5S and a molecular weight of 407.45 g/mol. Its IUPAC name is 9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide.

Molecular Properties

Compound Name9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide
PubChem CID3855904
Molecular FormulaC22H17NO5S
Molecular Weight407.45 g/mol
Exact Mass407.08
IUPAC Name9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide
SMILESO=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C22H17NO5S/c24-21-16-9-4-5-10-17(16)22(25)20-18(21)11-6-12-19(20)29(26,27)23-13-14-28-15-7-2-1-3-8-15/h1-12,23H,13-14H2
InChIKeyYGBZQNNLEHBRQA-UHFFFAOYSA-N
XLogP2.82
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-9,10-dioxoanthracene-1-sulfonamide
CID 3256725
2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
CID 126467495
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 2302768
2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide
CID 106594268
2-methyl-3-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609002
N-[2-(2,4-dimethylphenyl)ethyl]-9,10-dioxoanthracene-1-sulfonamide
CID 3787610
9,10-dioxo-N'-phenylanthracene-1-sulfonohydrazide
CID 2862735
2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide
CID 30171874
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488

Frequently Asked Questions

What is the IUPAC name of 9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide?
The IUPAC name of 9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide (CID 3855904) is 9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide.
What is the SMILES notation for 9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide?
The canonical SMILES for 9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide is O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)NCCOc1ccccc1.
What is the InChIKey of 9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide?
The InChIKey is YGBZQNNLEHBRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5S/c24-21-16-9-4-5-10-17(16)22(25)20-18(21)11-6-12-19(20)29(26,27)23-13-14-28-15-7-2-1-3-8-15/h1-12,23H,13-14H2.
What are the key properties of 9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide?
9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide has a molecular weight of 407.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide is sourced from PubChem (CID 3855904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).