[4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

C28H21Cl2N3O5S — CID 6023250

IUPAC[4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C\c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)cc2)cc1
InChIInChI=1S/C28H21Cl2N3O5S/c1-18-2-13-24(14-3-18)39(36,37)33-22-9-6-20(7-10-22)27(34)32-31-17-19-4-11-23(12-5-19)38-28(35)25-15-8-21(29)16-26(25)30/h2-17,33H,1H3,(H,32,34)/b31-17-
InChIKeyJAVVBJJIAIFKJJ-LJUMEUDFSA-N
MW582.47 g/mol
LogP6.09
Rot. Bonds8

About [4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

[4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (PubChem CID 6023250) has the molecular formula C28H21Cl2N3O5S and a molecular weight of 582.47 g/mol. Its IUPAC name is [4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
PubChem CID6023250
Molecular FormulaC28H21Cl2N3O5S
Molecular Weight582.47 g/mol
Exact Mass581.06
IUPAC Name[4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C\c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)cc2)cc1
InChIInChI=1S/C28H21Cl2N3O5S/c1-18-2-13-24(14-3-18)39(36,37)33-22-9-6-20(7-10-22)27(34)32-31-17-19-4-11-23(12-5-19)38-28(35)25-15-8-21(29)16-26(25)30/h2-17,33H,1H3,(H,32,34)/b31-17-
InChIKeyJAVVBJJIAIFKJJ-LJUMEUDFSA-N
XLogP6.09
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.47
LogP ≤ 56.09
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)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate 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-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 5185562
[4-[[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4197542
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3422845
[2-methoxy-4-[[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3696293
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4132128
[2-methoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4276953
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6047938
[3-[(E)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51061566
[4-[[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 4150709
[2-methoxy-4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 6303307
[4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6270486
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The IUPAC name of [4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (CID 6023250) is [4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The canonical SMILES for [4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C\c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)cc2)cc1.
What is the InChIKey of [4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The InChIKey is JAVVBJJIAIFKJJ-LJUMEUDFSA-N. The full InChI is InChI=1S/C28H21Cl2N3O5S/c1-18-2-13-24(14-3-18)39(36,37)33-22-9-6-20(7-10-22)27(34)32-31-17-19-4-11-23(12-5-19)38-28(35)25-15-8-21(29)16-26(25)30/h2-17,33H,1H3,(H,32,34)/b31-17-.
What are the key properties of [4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
[4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate has a molecular weight of 582.47 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 6023250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).