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

C25H19ClN2O4S — CID 6112739

IUPAC[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
SMILESCc1ccc(S(=O)(=O)N/N=C\c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1
InChIInChI=1S/C25H19ClN2O4S/c1-17-10-13-19(14-11-17)33(30,31)28-27-16-22-20-7-3-2-6-18(20)12-15-24(22)32-25(29)21-8-4-5-9-23(21)26/h2-16,28H,1H3/b27-16-
InChIKeySCZLFJACULDUSI-YUMHPJSZSA-N
MW478.96 g/mol
LogP5.33
Rot. Bonds6

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

[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate (PubChem CID 6112739) has the molecular formula C25H19ClN2O4S and a molecular weight of 478.96 g/mol. Its IUPAC name is [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate.

Molecular Properties

Compound Name[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
PubChem CID6112739
Molecular FormulaC25H19ClN2O4S
Molecular Weight478.96 g/mol
Exact Mass478.08
IUPAC Name[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
SMILESCc1ccc(S(=O)(=O)N/N=C\c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1
InChIInChI=1S/C25H19ClN2O4S/c1-17-10-13-19(14-11-17)33(30,31)28-27-16-22-20-7-3-2-6-18(20)12-15-24(22)32-25(29)21-8-4-5-9-23(21)26/h2-16,28H,1H3/b27-16-
InChIKeySCZLFJACULDUSI-YUMHPJSZSA-N
XLogP5.33
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.96
LogP ≤ 55.33
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] 4-methylbenzoate
CID 6264639
[1-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 3574672
[1-[[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 3331599
[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6014791
[1-[(benzenesulfonylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 3330292
[1-[[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 3563454
[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6305314
[1-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6161143
[1-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 45055239
[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 6908577
[1-[[(2-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3739553
[1-[(Z)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6164462

Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate?
The IUPAC name of [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate (CID 6112739) is [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate.
What is the SMILES notation for [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate?
The canonical SMILES for [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is Cc1ccc(S(=O)(=O)N/N=C\c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1.
What is the InChIKey of [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate?
The InChIKey is SCZLFJACULDUSI-YUMHPJSZSA-N. The full InChI is InChI=1S/C25H19ClN2O4S/c1-17-10-13-19(14-11-17)33(30,31)28-27-16-22-20-7-3-2-6-18(20)12-15-24(22)32-25(29)21-8-4-5-9-23(21)26/h2-16,28H,1H3/b27-16-.
What are the key properties of [1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate?
[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate has a molecular weight of 478.96 g/mol, XLogP of 5.33, 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] 2-chlorobenzoate is sourced from PubChem (CID 6112739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).