4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide

C26H18N2O4S2 — CID 40862397

IUPAC4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=C2C=C(Sc3cccc4cccnc34)C(=O)c3ccccc32)cc1
InChIInChI=1S/C26H18N2O4S2/c1-32-18-11-13-19(14-12-18)34(30,31)28-22-16-24(26(29)21-9-3-2-8-20(21)22)33-23-10-4-6-17-7-5-15-27-25(17)23/h2-16H,1H3
InChIKeyURYCMXMNJRQRNN-UHFFFAOYSA-N
MW486.57 g/mol
LogP5.29
Rot. Bonds5

About 4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide

4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide (PubChem CID 40862397) has the molecular formula C26H18N2O4S2 and a molecular weight of 486.57 g/mol. Its IUPAC name is 4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide
PubChem CID40862397
Molecular FormulaC26H18N2O4S2
Molecular Weight486.57 g/mol
Exact Mass486.07
IUPAC Name4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=C2C=C(Sc3cccc4cccnc34)C(=O)c3ccccc32)cc1
InChIInChI=1S/C26H18N2O4S2/c1-32-18-11-13-19(14-12-18)34(30,31)28-22-16-24(26(29)21-9-3-2-8-20(21)22)33-23-10-4-6-17-7-5-15-27-25(17)23/h2-16H,1H3
InChIKeyURYCMXMNJRQRNN-UHFFFAOYSA-N
XLogP5.29
TPSA85.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

8-(4-methoxyphenyl)sulfanylquinoline
CID 177466194
(NE)-N-[(4E)-3-bromo-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 21236165
(NZ)-N-[3-(2-hydroxynaphthalen-1-yl)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 146210091
N-[3-(4-methoxyanilino)-4-oxonaphthalen-1-ylidene]-4-methylbenzenesulfonamide
CID 3258439
2-[(4E)-4-(4-ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid
CID 6022733
(NE)-4-chloro-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide
CID 22525617
N-[3-(3,4-dimethylanilino)-4-oxonaphthalen-1-ylidene]-4-methoxybenzenesulfonamide
CID 3363104
N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide
CID 102274855
(NZ)-4-methoxy-N-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 6125311
4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 561333
2-[(4Z)-4-(benzenesulfonylimino)-1-oxonaphthalen-2-yl]sulfanylacetic acid
CID 6768788
8-sulfosulfanylquinoline
CID 175491006

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide (CID 40862397) is 4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide is COc1ccc(S(=O)(=O)N=C2C=C(Sc3cccc4cccnc34)C(=O)c3ccccc32)cc1.
What is the InChIKey of 4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide?
The InChIKey is URYCMXMNJRQRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O4S2/c1-32-18-11-13-19(14-12-18)34(30,31)28-22-16-24(26(29)21-9-3-2-8-20(21)22)33-23-10-4-6-17-7-5-15-27-25(17)23/h2-16H,1H3.
What are the key properties of 4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide?
4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide has a molecular weight of 486.57 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-oxo-3-quinolin-8-ylsulfanylnaphthalen-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 40862397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).