(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide

C24H20N2O3S — CID 5450080

IUPAC(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)/N=C2/C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O3S/c1-2-17-12-14-19(15-13-17)30(28,29)26-22-16-23(25-18-8-4-3-5-9-18)24(27)21-11-7-6-10-20(21)22/h3-16,25H,2H2,1H3/b26-22-
InChIKeyKLOFIYOBHWLYRL-ROMGYVFFSA-N
MW416.50 g/mol
LogP4.62
Rot. Bonds5

About (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide

(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide (PubChem CID 5450080) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide
PubChem CID5450080
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)/N=C2/C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O3S/c1-2-17-12-14-19(15-13-17)30(28,29)26-22-16-23(25-18-8-4-3-5-9-18)24(27)21-11-7-6-10-20(21)22/h3-16,25H,2H2,1H3/b26-22-
InChIKeyKLOFIYOBHWLYRL-ROMGYVFFSA-N
XLogP4.62
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.62
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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Related Compounds

4-ethyl-N-[3-(4-methylanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 3332874
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-[(Z)-[3-(3,4-dimethylanilino)-4-oxonaphthalen-1-ylidene]amino]sulfonylbenzoic acid
CID 6768812
N-[3-(3,4-dimethylanilino)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 3363104
N-[3-(4-acetylanilino)-4-oxonaphthalen-1-ylidene]naphthalene-2-sulfonamide
CID 174136542
N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-tert-butylbenzenesulfonamide
CID 2398579
N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 40910726
methyl 2-[[4-(4-ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoate
CID 4158663
N-[3-(2,5-dichloroanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
CID 992594
(NZ)-N-[3-(4-methylanilino)-4-oxonaphthalen-1-ylidene]thiophene-2-sulfonamide
CID 6032979
methyl 2-[[4-(4-bromophenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoate
CID 3426626

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide?
The IUPAC name of (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide (CID 5450080) is (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)/N=C2/C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1.
What is the InChIKey of (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide?
The InChIKey is KLOFIYOBHWLYRL-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-2-17-12-14-19(15-13-17)30(28,29)26-22-16-23(25-18-8-4-3-5-9-18)24(27)21-11-7-6-10-20(21)22/h3-16,25H,2H2,1H3/b26-22-.
What are the key properties of (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide?
(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide has a molecular weight of 416.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 5450080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).