4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide

C24H20N2O5S — CID 3250380

IUPAC4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O5S/c1-2-31-18-11-13-19(14-12-18)32(29,30)26-22-15-23(25-16-7-9-17(27)10-8-16)24(28)21-6-4-3-5-20(21)22/h3-15,25,27H,2H2,1H3
InChIKeyCROXSUJZMYJLQH-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.16
Rot. Bonds6

About 4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide

4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide (PubChem CID 3250380) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
PubChem CID3250380
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O5S/c1-2-31-18-11-13-19(14-12-18)32(29,30)26-22-15-23(25-16-7-9-17(27)10-8-16)24(28)21-6-4-3-5-20(21)22/h3-15,25,27H,2H2,1H3
InChIKeyCROXSUJZMYJLQH-UHFFFAOYSA-N
XLogP4.16
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide
CID 1184117
N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 3711743
4-methoxy-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 4130213
N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 4224502
4-fluoro-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 5215207
(NE)-N-[3-(4-hydroxyanilino)-4-keto-1-naphthylidene]-4-methyl-benzenesulfonamide
CID 9661009
N-[3-(4-ethoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 992471
2-({4-[(4-Ethoxyanilino)sulfonyl]anilino}carbonyl)benzoic acid
CID 1013174
4-ethyl-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 1184125
4-ethyl-N-[3-(2-methoxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 4246338
N-[3-(4-ethoxyanilino)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide
CID 4438837
(NE)-4-ethyl-N-[3-(4-hydroxyanilino)-4-keto-1-naphthylidene]benzenesulfonamide
CID 22524940

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide (CID 3250380) is 4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1.
What is the InChIKey of 4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The InChIKey is CROXSUJZMYJLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-2-31-18-11-13-19(14-12-18)32(29,30)26-22-15-23(25-16-7-9-17(27)10-8-16)24(28)21-6-4-3-5-20(21)22/h3-15,25,27H,2H2,1H3.
What are the key properties of 4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide has a molecular weight of 448.50 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is sourced from PubChem (CID 3250380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).