[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate

C20H16N2O4S — CID 6164119

IUPAC[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate
SMILESO=C(Oc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H16N2O4S/c23-20(17-7-3-1-4-8-17)26-18-13-11-16(12-14-18)15-21-22-27(24,25)19-9-5-2-6-10-19/h1-15,22H/b21-15-
InChIKeyQCNLQCVLSQMWGS-QNGOZBTKSA-N
MW380.43 g/mol
LogP3.22
Rot. Bonds6

About [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate

[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate (PubChem CID 6164119) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate
PubChem CID6164119
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate
SMILESO=C(Oc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H16N2O4S/c23-20(17-7-3-1-4-8-17)26-18-13-11-16(12-14-18)15-21-22-27(24,25)19-9-5-2-6-10-19/h1-15,22H/b21-15-
InChIKeyQCNLQCVLSQMWGS-QNGOZBTKSA-N
XLogP3.22
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.22
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

[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 4606656
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5439954
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6047938
[5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 5430747
[4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3505504
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 4232501
[4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate
CID 110518046
N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135641596
[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439
[4-(hydroxyiminomethyl)phenyl] benzoate
CID 880956
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate?
The IUPAC name of [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate (CID 6164119) is [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate.
What is the SMILES notation for [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate?
The canonical SMILES for [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate is O=C(Oc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate?
The InChIKey is QCNLQCVLSQMWGS-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-20(17-7-3-1-4-8-17)26-18-13-11-16(12-14-18)15-21-22-27(24,25)19-9-5-2-6-10-19/h1-15,22H/b21-15-.
What are the key properties of [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate?
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate has a molecular weight of 380.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate is sourced from PubChem (CID 6164119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).