[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate

C20H15ClN2O4S — CID 4606656

IUPAC[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
SMILESO=C(Oc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O4S/c21-17-10-8-16(9-11-17)20(24)27-18-12-6-15(7-13-18)14-22-23-28(25,26)19-4-2-1-3-5-19/h1-14,23H
InChIKeyXLEZPLUNFXRKRM-UHFFFAOYSA-N
MW414.87 g/mol
LogP3.87
Rot. Bonds6

About [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate

[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate (PubChem CID 4606656) has the molecular formula C20H15ClN2O4S and a molecular weight of 414.87 g/mol. Its IUPAC name is [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
PubChem CID4606656
Molecular FormulaC20H15ClN2O4S
Molecular Weight414.87 g/mol
Exact Mass414.04
IUPAC Name[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
SMILESO=C(Oc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O4S/c21-17-10-8-16(9-11-17)20(24)27-18-12-6-15(7-13-18)14-22-23-28(25,26)19-4-2-1-3-5-19/h1-14,23H
InChIKeyXLEZPLUNFXRKRM-UHFFFAOYSA-N
XLogP3.87
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 53.87
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'}

Analyze [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate
CID 6164119
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5439954
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 4232501
methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate
CID 5009121
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4132128
[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3965877
[4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3505504
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6047938
[5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 5430747
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060761
[4-[(3-phenylpropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3536655
[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6267916

Frequently Asked Questions

What is the IUPAC name of [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate?
The IUPAC name of [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate (CID 4606656) is [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate.
What is the SMILES notation for [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate?
The canonical SMILES for [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is O=C(Oc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate?
The InChIKey is XLEZPLUNFXRKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4S/c21-17-10-8-16(9-11-17)20(24)27-18-12-6-15(7-13-18)14-22-23-28(25,26)19-4-2-1-3-5-19/h1-14,23H.
What are the key properties of [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate?
[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate has a molecular weight of 414.87 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is sourced from PubChem (CID 4606656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).