4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid

C23H19Cl2N3O5S — CID 6139507

IUPAC4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H19Cl2N3O5S/c24-19-9-11-20(12-10-19)34(32,33)28(14-18-3-1-2-4-21(18)25)15-22(29)27-26-13-16-5-7-17(8-6-16)23(30)31/h1-13H,14-15H2,(H,27,29)(H,30,31)/b26-13-
InChIKeyGTVQYVJBYOYWAY-ZMFRSBBQSA-N
MW520.39 g/mol
LogP4.03
Rot. Bonds9

About 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid

4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 6139507) has the molecular formula C23H19Cl2N3O5S and a molecular weight of 520.39 g/mol. Its IUPAC name is 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID6139507
Molecular FormulaC23H19Cl2N3O5S
Molecular Weight520.39 g/mol
Exact Mass519.04
IUPAC Name4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H19Cl2N3O5S/c24-19-9-11-20(12-10-19)34(32,33)28(14-18-3-1-2-4-21(18)25)15-22(29)27-26-13-16-5-7-17(8-6-16)23(30)31/h1-13H,14-15H2,(H,27,29)(H,30,31)/b26-13-
InChIKeyGTVQYVJBYOYWAY-ZMFRSBBQSA-N
XLogP4.03
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-[(Z)-[[2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 126069699
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 6041566
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 126069679
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 126069331
N-[(Z)-benzylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126067440
methyl 4-[(Z)-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoate
CID 94847124
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 126071673
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 126005686
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126078310
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
CID 98106971
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126013756
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 126069386

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid (CID 6139507) is 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid is O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is GTVQYVJBYOYWAY-ZMFRSBBQSA-N. The full InChI is InChI=1S/C23H19Cl2N3O5S/c24-19-9-11-20(12-10-19)34(32,33)28(14-18-3-1-2-4-21(18)25)15-22(29)27-26-13-16-5-7-17(8-6-16)23(30)31/h1-13H,14-15H2,(H,27,29)(H,30,31)/b26-13-.
What are the key properties of 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid?
4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 520.39 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 6139507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).