(NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide

C24H20N2O6S2 — CID 21236151

IUPAC(NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C2/C=C/C(=N\S(=O)(=O)c3ccc(OC)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O6S2/c1-31-17-7-11-19(12-8-17)33(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-34(29,30)20-13-9-18(32-2)10-14-20/h3-16H,1-2H3/b25-23-,26-24+
InChIKeyFOPMDVOQQAUJLW-MJPLYFDISA-N
MW496.57 g/mol
LogP3.63
Rot. Bonds6

About (NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide

(NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide (PubChem CID 21236151) has the molecular formula C24H20N2O6S2 and a molecular weight of 496.57 g/mol. Its IUPAC name is (NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide
PubChem CID21236151
Molecular FormulaC24H20N2O6S2
Molecular Weight496.57 g/mol
Exact Mass496.08
IUPAC Name(NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C2/C=C/C(=N\S(=O)(=O)c3ccc(OC)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O6S2/c1-31-17-7-11-19(12-8-17)33(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-34(29,30)20-13-9-18(32-2)10-14-20/h3-16H,1-2H3/b25-23-,26-24+
InChIKeyFOPMDVOQQAUJLW-MJPLYFDISA-N
XLogP3.63
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.63
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

{[3,4-dihydro-1(2H)-naphthalenylidenamino]oxy}(4-methoxyphenyl)dioxo-lambda~6~-sulfane
CID 9661673
4-ethoxy-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
CID 6160479
4-methoxy-N-(4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 754023
N-(4-methoxyphenyl)sulfonyl-N-methylnaphthalene-2-sulfonamide
CID 2379491
N'-(diphenylmethylidene)-4-methoxybenzenesulfonohydrazide
CID 17249049
N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide
CID 155567314
N'-(1-(4-Methoxyphenyl)propylidene)-4-methylbenzenesulfonohydrazide
CID 5348286
[(1Z)-2-(4-methoxyphenyl)-1-azaprop-1-enyl][(4-methylphenyl)sulfonyl]amine
CID 5786365
(NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide
CID 71739048
N'-(1-(4-methoxyphenyl)ethylidene)benzenesulfonohydrazide
CID 4663316
4-methoxy-N'-(1-phenylethylidene)benzenesulfonohydrazide
CID 149973187
4-ethoxy-N-[(2-phenyl-3,4-dihydro-2H-1-benzopyran-4-ylidene)amino]benzenesulfonamide
CID 4598116

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide?
The IUPAC name of (NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide (CID 21236151) is (NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide is COc1ccc(S(=O)(=O)/N=C2/C=C/C(=N\S(=O)(=O)c3ccc(OC)cc3)c3ccccc32)cc1.
What is the InChIKey of (NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide?
The InChIKey is FOPMDVOQQAUJLW-MJPLYFDISA-N. The full InChI is InChI=1S/C24H20N2O6S2/c1-31-17-7-11-19(12-8-17)33(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-34(29,30)20-13-9-18(32-2)10-14-20/h3-16H,1-2H3/b25-23-,26-24+.
What are the key properties of (NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide?
(NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide has a molecular weight of 496.57 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methoxy-N-[(4E)-4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide is sourced from PubChem (CID 21236151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).