[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate

C26H22N2O4S — CID 6264639

IUPAC[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N\NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H22N2O4S/c1-18-7-11-21(12-8-18)26(29)32-25-16-13-20-5-3-4-6-23(20)24(25)17-27-28-33(30,31)22-14-9-19(2)10-15-22/h3-17,28H,1-2H3/b27-17-
InChIKeyGIKNVXQFJQMFEF-PKAZHMFMSA-N
MW458.54 g/mol
LogP4.99
Rot. Bonds6

About [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate

[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate (PubChem CID 6264639) has the molecular formula C26H22N2O4S and a molecular weight of 458.54 g/mol. Its IUPAC name is [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate.

Molecular Properties

Compound Name[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
PubChem CID6264639
Molecular FormulaC26H22N2O4S
Molecular Weight458.54 g/mol
Exact Mass458.13
IUPAC Name[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N\NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H22N2O4S/c1-18-7-11-21(12-8-18)26(29)32-25-16-13-20-5-3-4-6-23(20)24(25)17-27-28-33(30,31)22-14-9-19(2)10-15-22/h3-17,28H,1-2H3/b27-17-
InChIKeyGIKNVXQFJQMFEF-PKAZHMFMSA-N
XLogP4.99
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6112739
[1-[(benzenesulfonylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 3330292
[1-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 6287750
[1-[[(4-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3871773
[1-[[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
CID 3824985
[1-[[(2-phenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 3420527
[1-[[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 3749642
[1-[[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 3684218
[1-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 4558748
[1-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 4549106
[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6872737
[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6157269

Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate?
The IUPAC name of [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate (CID 6264639) is [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate.
What is the SMILES notation for [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate?
The canonical SMILES for [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N\NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate?
The InChIKey is GIKNVXQFJQMFEF-PKAZHMFMSA-N. The full InChI is InChI=1S/C26H22N2O4S/c1-18-7-11-21(12-8-18)26(29)32-25-16-13-20-5-3-4-6-23(20)24(25)17-27-28-33(30,31)22-14-9-19(2)10-15-22/h3-17,28H,1-2H3/b27-17-.
What are the key properties of [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate?
[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate has a molecular weight of 458.54 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate is sourced from PubChem (CID 6264639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).