N-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide

C24H20N2O3S — CID 3357966

IUPACN-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)c1
InChIInChI=1S/C24H20N2O3S/c1-16-12-13-17(2)23(14-16)30(28,29)26-21-15-22(25-18-8-4-3-5-9-18)24(27)20-11-7-6-10-19(20)21/h3-15,25H,1-2H3
InChIKeyUZZPYKWJFBITEN-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.67
Rot. Bonds4

About N-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide

N-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide (PubChem CID 3357966) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide
PubChem CID3357966
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC NameN-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)c1
InChIInChI=1S/C24H20N2O3S/c1-16-12-13-17(2)23(14-16)30(28,29)26-21-15-22(25-18-8-4-3-5-9-18)24(27)20-11-7-6-10-19(20)21/h3-15,25H,1-2H3
InChIKeyUZZPYKWJFBITEN-UHFFFAOYSA-N
XLogP4.67
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide (CID 3357966) is N-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)c1.
What is the InChIKey of N-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide?
The InChIKey is UZZPYKWJFBITEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-16-12-13-17(2)23(14-16)30(28,29)26-21-15-22(25-18-8-4-3-5-9-18)24(27)20-11-7-6-10-19(20)21/h3-15,25H,1-2H3.
What are the key properties of N-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide?
N-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide has a molecular weight of 416.50 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-4-oxonaphthalen-1-ylidene)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 3357966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).