N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide

C24H20N2O6S2 — CID 15993149

IUPACN-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N=C2C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O6S2/c1-2-32-17-12-14-19(15-13-17)34(30,31)25-22-16-23(24(27)21-11-7-6-10-20(21)22)26-33(28,29)18-8-4-3-5-9-18/h3-16,26H,2H2,1H3
InChIKeyYPSDOVQLKNMVQX-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.32
Rot. Bonds7

About N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide

N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide (PubChem CID 15993149) has the molecular formula C24H20N2O6S2 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide
PubChem CID15993149
Molecular FormulaC24H20N2O6S2
Molecular Weight496.57 g/mol
Exact Mass496.08
IUPAC NameN-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N=C2C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O6S2/c1-2-32-17-12-14-19(15-13-17)34(30,31)25-22-16-23(24(27)21-11-7-6-10-20(21)22)26-33(28,29)18-8-4-3-5-9-18/h3-16,26H,2H2,1H3
InChIKeyYPSDOVQLKNMVQX-UHFFFAOYSA-N
XLogP3.32
TPSA118.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide (CID 15993149) is N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)N=C2C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide?
The InChIKey is YPSDOVQLKNMVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6S2/c1-2-32-17-12-14-19(15-13-17)34(30,31)25-22-16-23(24(27)21-11-7-6-10-20(21)22)26-33(28,29)18-8-4-3-5-9-18/h3-16,26H,2H2,1H3.
What are the key properties of N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide?
N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide has a molecular weight of 496.57 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 15993149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).