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

C23H18N2O4S — CID 1184117

IUPACN-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C23H18N2O4S/c1-29-17-11-13-18(14-12-17)30(27,28)25-21-15-22(24-16-7-3-2-4-8-16)23(26)20-10-6-5-9-19(20)21/h2-15,24H,1H3
InChIKeyVXABOCGDPOQZQE-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.07
Rot. Bonds5

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

N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide (PubChem CID 1184117) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide
PubChem CID1184117
Molecular FormulaC23H18N2O4S
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC NameN-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C23H18N2O4S/c1-29-17-11-13-18(14-12-17)30(27,28)25-21-15-22(24-16-7-3-2-4-8-16)23(26)20-10-6-5-9-19(20)21/h2-15,24H,1H3
InChIKeyVXABOCGDPOQZQE-UHFFFAOYSA-N
XLogP4.07
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.07
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-methoxybenzenesulfonamide?
The IUPAC name of N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide (CID 1184117) is N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1.
What is the InChIKey of N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide?
The InChIKey is VXABOCGDPOQZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4S/c1-29-17-11-13-18(14-12-17)30(27,28)25-21-15-22(24-16-7-3-2-4-8-16)23(26)20-10-6-5-9-19(20)21/h2-15,24H,1H3.
What are the key properties of N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide?
N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide has a molecular weight of 418.47 g/mol, XLogP of 4.07, 5 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-methoxybenzenesulfonamide is sourced from PubChem (CID 1184117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).