[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate

C22H18FN3O5S — CID 6021477

IUPAC[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
SMILESO=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1ccc(OC(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H18FN3O5S/c23-20-9-5-4-8-19(20)22(28)31-17-12-10-16(11-13-17)14-24-26-21(27)15-25-32(29,30)18-6-2-1-3-7-18/h1-14,25H,15H2,(H,26,27)/b24-14-
InChIKeyLJMNXRGAUKUFNK-OYKKKHCWSA-N
MW455.47 g/mol
LogP2.47
Rot. Bonds8

About [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate

[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate (PubChem CID 6021477) has the molecular formula C22H18FN3O5S and a molecular weight of 455.47 g/mol. Its IUPAC name is [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
PubChem CID6021477
Molecular FormulaC22H18FN3O5S
Molecular Weight455.47 g/mol
Exact Mass455.10
IUPAC Name[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
SMILESO=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1ccc(OC(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H18FN3O5S/c23-20-9-5-4-8-19(20)22(28)31-17-12-10-16(11-13-17)14-24-26-21(27)15-25-32(29,30)18-6-2-1-3-7-18/h1-14,25H,15H2,(H,26,27)/b24-14-
InChIKeyLJMNXRGAUKUFNK-OYKKKHCWSA-N
XLogP2.47
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 52.47
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'}

Analyze [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate 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)-[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 6030741
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 4095842
[4-[(Z)-[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 6114048
[4-[(dodecanoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 5099755
[4-[[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4197542
[4-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6267916
[4-[[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 4303570
2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 6279022
[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 25252626
[4-[[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 4158530
[4-[(Z)-[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6379962
4-[[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]sulfamoyl]benzoic acid
CID 89116773

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate?
The IUPAC name of [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate (CID 6021477) is [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate.
What is the SMILES notation for [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate?
The canonical SMILES for [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate is O=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1ccc(OC(=O)c2ccccc2F)cc1.
What is the InChIKey of [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate?
The InChIKey is LJMNXRGAUKUFNK-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H18FN3O5S/c23-20-9-5-4-8-19(20)22(28)31-17-12-10-16(11-13-17)14-24-26-21(27)15-25-32(29,30)18-6-2-1-3-7-18/h1-14,25H,15H2,(H,26,27)/b24-14-.
What are the key properties of [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate?
[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate has a molecular weight of 455.47 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate is sourced from PubChem (CID 6021477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).