[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate

C26H21N3O5S — CID 6157269

IUPAC[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
SMILESO=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1c(OC(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C26H21N3O5S/c30-25(18-28-35(32,33)21-12-5-2-6-13-21)29-27-17-23-22-14-8-7-9-19(22)15-16-24(23)34-26(31)20-10-3-1-4-11-20/h1-17,28H,18H2,(H,29,30)/b27-17-
InChIKeyWPAKDQCHDQONLX-PKAZHMFMSA-N
MW487.54 g/mol
LogP3.49
Rot. Bonds8

About [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate

[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate (PubChem CID 6157269) has the molecular formula C26H21N3O5S and a molecular weight of 487.54 g/mol. Its IUPAC name is [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
PubChem CID6157269
Molecular FormulaC26H21N3O5S
Molecular Weight487.54 g/mol
Exact Mass487.12
IUPAC Name[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
SMILESO=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1c(OC(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C26H21N3O5S/c30-25(18-28-35(32,33)21-12-5-2-6-13-21)29-27-17-23-22-14-8-7-9-19(22)15-16-24(23)34-26(31)20-10-3-1-4-11-20/h1-17,28H,18H2,(H,29,30)/b27-17-
InChIKeyWPAKDQCHDQONLX-PKAZHMFMSA-N
XLogP3.49
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
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[1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
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[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
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CID 51061339
[1-[[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 4638352
2-(benzenesulfonamido)-N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4599921
2-(benzenesulfonamido)-N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6160921
[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6092077
[1-[[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 4318962
[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 6264639
[1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
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Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The IUPAC name of [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate (CID 6157269) is [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate.
What is the SMILES notation for [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The canonical SMILES for [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate is O=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1c(OC(=O)c2ccccc2)ccc2ccccc12.
What is the InChIKey of [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The InChIKey is WPAKDQCHDQONLX-PKAZHMFMSA-N. The full InChI is InChI=1S/C26H21N3O5S/c30-25(18-28-35(32,33)21-12-5-2-6-13-21)29-27-17-23-22-14-8-7-9-19(22)15-16-24(23)34-26(31)20-10-3-1-4-11-20/h1-17,28H,18H2,(H,29,30)/b27-17-.
What are the key properties of [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate has a molecular weight of 487.54 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate is sourced from PubChem (CID 6157269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).