N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide

C24H20N2O4S — CID 3626227

IUPACN-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O4S/c1-2-30-18-12-14-19(15-13-18)31(28,29)26-22-16-23(25-17-8-4-3-5-9-17)24(27)21-11-7-6-10-20(21)22/h3-16,25H,2H2,1H3
InChIKeyCENIZCKHJOVFDK-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.46
Rot. Bonds6

About N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide

N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide (PubChem CID 3626227) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide
PubChem CID3626227
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O4S/c1-2-30-18-12-14-19(15-13-18)31(28,29)26-22-16-23(25-17-8-4-3-5-9-17)24(27)21-11-7-6-10-20(21)22/h3-16,25H,2H2,1H3
InChIKeyCENIZCKHJOVFDK-UHFFFAOYSA-N
XLogP4.46
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.46
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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Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide (CID 3626227) is N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1.
What is the InChIKey of N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide?
The InChIKey is CENIZCKHJOVFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-2-30-18-12-14-19(15-13-18)31(28,29)26-22-16-23(25-17-8-4-3-5-9-17)24(27)21-11-7-6-10-20(21)22/h3-16,25H,2H2,1H3.
What are the key properties of N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide?
N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide has a molecular weight of 432.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 3626227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).