[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate

C16H16N2O6S — CID 6898015

IUPAC[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C16H16N2O6S/c1-22-15-10-12(8-9-14(15)24-16(19)23-2)11-17-18-25(20,21)13-6-4-3-5-7-13/h3-11,18H,1-2H3/b17-11+
InChIKeyBWGDGLZXTAYONA-GZTJUZNOSA-N
MW364.38 g/mol
LogP2.15
Rot. Bonds6

About [4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate

[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate (PubChem CID 6898015) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is [4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate.

Molecular Properties

Compound Name[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate
PubChem CID6898015
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C16H16N2O6S/c1-22-15-10-12(8-9-14(15)24-16(19)23-2)11-17-18-25(20,21)13-6-4-3-5-7-13/h3-11,18H,1-2H3/b17-11+
InChIKeyBWGDGLZXTAYONA-GZTJUZNOSA-N
XLogP2.15
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-Methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 5331359
methyl (4-{(E)-[2-(phenylsulfonyl)hydrazinylidene]methyl}phenoxy)acetate
CID 5350558
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-2,5-dimethoxybenzenesulfonohydrazide
CID 6131904
N'-(4-ethoxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 6871474
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-2,4-dimethylbenzenesulfonohydrazide
CID 25237236
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-fluorobenzenesulfonamide
CID 56642872
2-Ethoxy-4-[2-(phenylsulfonyl)carbohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6872794
2-methoxy-4-{(E)-[2-(phenylsulfonyl)hydrazinylidene]methyl}phenyl 4-methylbenzenesulfonate
CID 6894276
N'-(4-Methoxybenzylidene)benzenesulfonohydrazide
CID 6908543
2-methoxy-5-{(E)-[2-(phenylsulfonyl)hydrazinylidene]methyl}phenyl benzoate
CID 9664315
4-{(E)-[2-(phenylsulfonyl)hydrazinylidene]methyl}phenyl acetate
CID 5349049
N'-(1,3-benzodioxol-5-ylmethylene)-4-methoxybenzenesulfonohydrazide
CID 5407732

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate?
The IUPAC name of [4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate (CID 6898015) is [4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate.
What is the SMILES notation for [4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate?
The canonical SMILES for [4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate is COC(=O)Oc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of [4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate?
The InChIKey is BWGDGLZXTAYONA-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-22-15-10-12(8-9-14(15)24-16(19)23-2)11-17-18-25(20,21)13-6-4-3-5-7-13/h3-11,18H,1-2H3/b17-11+.
What are the key properties of [4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate?
[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate has a molecular weight of 364.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] methyl carbonate is sourced from PubChem (CID 6898015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).