(NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide

C27H19NO5S — CID 146210091

IUPAC(NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C2/C=C(c3c(O)ccc4ccccc34)C(=O)c3ccccc32)cc1
InChIInChI=1S/C27H19NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,29H,1H3/b28-24-
InChIKeyLWJJMTUHISVBMS-COOPMVRXSA-N
MW469.52 g/mol
LogP5.01
Rot. Bonds4

About (NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide

(NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide (PubChem CID 146210091) has the molecular formula C27H19NO5S and a molecular weight of 469.52 g/mol. Its IUPAC name is (NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
PubChem CID146210091
Molecular FormulaC27H19NO5S
Molecular Weight469.52 g/mol
Exact Mass469.10
IUPAC Name(NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C2/C=C(c3c(O)ccc4ccccc34)C(=O)c3ccccc32)cc1
InChIInChI=1S/C27H19NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,29H,1H3/b28-24-
InChIKeyLWJJMTUHISVBMS-COOPMVRXSA-N
XLogP5.01
TPSA93.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.01
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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Related Compounds

(NE)-4-hydroxy-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 177246843
N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide
CID 148783161
N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
CID 3258439
(NE)-N-[(4E)-3-bromo-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 21236165
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]-4-methoxybenzenesulfonamide
CID 1324609
4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide
CID 40862397
N-[3-(3,4-dimethylanilino)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 3363104
4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 561333
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide;methane
CID 159867718
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
(NZ)-4-methoxy-N-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 6125311
(2E)-4-(2-hydroxynaphthalen-1-yl)-2-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]naphthalen-1-one
CID 135504253

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide?
The IUPAC name of (NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide (CID 146210091) is (NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide?
The canonical SMILES for (NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)/N=C2/C=C(c3c(O)ccc4ccccc34)C(=O)c3ccccc32)cc1.
What is the InChIKey of (NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide?
The InChIKey is LWJJMTUHISVBMS-COOPMVRXSA-N. The full InChI is InChI=1S/C27H19NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,29H,1H3/b28-24-.
What are the key properties of (NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide?
(NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide has a molecular weight of 469.52 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 146210091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).