N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide

C24H20N2O4S — CID 3258439

IUPACN-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccc(NC2=CC(=NS(=O)(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H20N2O4S/c1-16-7-13-19(14-8-16)31(28,29)26-22-15-23(24(27)21-6-4-3-5-20(21)22)25-17-9-11-18(30-2)12-10-17/h3-15,25H,1-2H3
InChIKeyCYFKYFHDEUCVTI-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.37
Rot. Bonds5

About N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide

N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide (PubChem CID 3258439) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
PubChem CID3258439
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccc(NC2=CC(=NS(=O)(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H20N2O4S/c1-16-7-13-19(14-8-16)31(28,29)26-22-15-23(24(27)21-6-4-3-5-20(21)22)25-17-9-11-18(30-2)12-10-17/h3-15,25H,1-2H3
InChIKeyCYFKYFHDEUCVTI-UHFFFAOYSA-N
XLogP4.37
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dimethylanilino)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 3363104
4-ethyl-N-[3-(4-methylanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 3332874
4-[(Z)-[3-(4-methylanilino)-4-oxonaphthalen-1-ylidene]amino]sulfonylbenzoic acid
CID 6768805
(NZ)-N-[3-(4-methylanilino)-4-oxonaphthalen-1-ylidene]thiophene-2-sulfonamide
CID 6032979
N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
CID 992594
(NE)-4-fluoro-N-[3-(3-methylanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 22524938
N-[3-(4-acetylanilino)-4-oxonaphthalen-1-ylidene]naphthalene-2-sulfonamide
CID 174136542
4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 561333
methyl 2-[[4-(4-ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoate
CID 4158663
(NE)-N-[(4E)-3-bromo-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 21236165
(NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 146210091
methyl 2-[[4-(4-bromophenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoate
CID 3426626

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide (CID 3258439) is N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide is COc1ccc(NC2=CC(=NS(=O)(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide?
The InChIKey is CYFKYFHDEUCVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-16-7-13-19(14-8-16)31(28,29)26-22-15-23(24(27)21-6-4-3-5-20(21)22)25-17-9-11-18(30-2)12-10-17/h3-15,25H,1-2H3.
What are the key properties of N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide?
N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide has a molecular weight of 432.50 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3258439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).