N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide

C22H14Cl2N2O3S — CID 40910726

IUPACN-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SMILESO=C1C(Nc2cc(Cl)ccc2Cl)=CC(=NS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H14Cl2N2O3S/c23-14-10-11-18(24)20(12-14)25-21-13-19(16-8-4-5-9-17(16)22(21)27)26-30(28,29)15-6-2-1-3-7-15/h1-13,25H
InChIKeyMDAOHNFOIRNJJZ-UHFFFAOYSA-N
MW457.34 g/mol
LogP5.36
Rot. Bonds4

About N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide

N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide (PubChem CID 40910726) has the molecular formula C22H14Cl2N2O3S and a molecular weight of 457.34 g/mol. Its IUPAC name is N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
PubChem CID40910726
Molecular FormulaC22H14Cl2N2O3S
Molecular Weight457.34 g/mol
Exact Mass456.01
IUPAC NameN-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
SMILESO=C1C(Nc2cc(Cl)ccc2Cl)=CC(=NS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H14Cl2N2O3S/c23-14-10-11-18(24)20(12-14)25-21-13-19(16-8-4-5-9-17(16)22(21)27)26-30(28,29)15-6-2-1-3-7-15/h1-13,25H
InChIKeyMDAOHNFOIRNJJZ-UHFFFAOYSA-N
XLogP5.36
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.34
LogP ≤ 55.36
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'}

Analyze N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
CID 992594
(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide
CID 5450080
1,4-bis(2,5-dichloroanilino)anthracene-9,10-dione
CID 21489849
N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-tert-butylbenzenesulfonamide
CID 2398579
4-[(Z)-[3-(3,4-dimethylanilino)-4-oxonaphthalen-1-ylidene]amino]sulfonylbenzoic acid
CID 6768812
4-[(Z)-[3-(4-methylanilino)-4-oxonaphthalen-1-ylidene]amino]sulfonylbenzoic acid
CID 6768805
(NE)-4-fluoro-N-[3-(3-methylanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 22524938
4-ethyl-N-[3-(4-methylanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 3332874
N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
CID 3258439
methyl 2-[[4-(4-ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoate
CID 4158663
2-(3-chloroanilino)-4-(3-chlorophenyl)iminonaphthalen-1-one
CID 164682042
N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]thiophene-2-sulfonamide
CID 2391700

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The IUPAC name of N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide (CID 40910726) is N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide.
What is the SMILES notation for N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The canonical SMILES for N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is O=C1C(Nc2cc(Cl)ccc2Cl)=CC(=NS(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
The InChIKey is MDAOHNFOIRNJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O3S/c23-14-10-11-18(24)20(12-14)25-21-13-19(16-8-4-5-9-17(16)22(21)27)26-30(28,29)15-6-2-1-3-7-15/h1-13,25H.
What are the key properties of N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide?
N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide has a molecular weight of 457.34 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide is sourced from PubChem (CID 40910726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).