[4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate

C28H20Cl3N3O6S — CID 4057032

IUPAC[4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
SMILESCOc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H20Cl3N3O6S/c1-39-26-14-17(2-13-25(26)40-28(36)19-5-12-23(30)24(31)15-19)16-32-33-27(35)18-3-8-21(9-4-18)34-41(37,38)22-10-6-20(29)7-11-22/h2-16,34H,1H3,(H,33,35)
InChIKeyAUCAPQWZKJZNSY-UHFFFAOYSA-N
MW632.91 g/mol
LogP6.44
Rot. Bonds9

About [4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate

[4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate (PubChem CID 4057032) has the molecular formula C28H20Cl3N3O6S and a molecular weight of 632.91 g/mol. Its IUPAC name is [4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate.

Molecular Properties

Compound Name[4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
PubChem CID4057032
Molecular FormulaC28H20Cl3N3O6S
Molecular Weight632.91 g/mol
Exact Mass631.01
IUPAC Name[4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
SMILESCOc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H20Cl3N3O6S/c1-39-26-14-17(2-13-25(26)40-28(36)19-5-12-23(30)24(31)15-19)16-32-33-27(35)18-3-8-21(9-4-18)34-41(37,38)22-10-6-20(29)7-11-22/h2-16,34H,1H3,(H,33,35)
InChIKeyAUCAPQWZKJZNSY-UHFFFAOYSA-N
XLogP6.44
TPSA123.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.91
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate with MolForge

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Related Compounds

[2-methoxy-4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 6303307
[4-[[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 4225717
4-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 4586395
[2-methoxy-4-[[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3696293
[2-methoxy-4-[[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3352220
[4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 6036795
[4-[[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 3868833
[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 5225618
[2-methoxy-4-[[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 4243627
[4-[[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
CID 4226760
[4-[[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 3670411
[4-[[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
CID 4079125

Frequently Asked Questions

What is the IUPAC name of [4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate?
The IUPAC name of [4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate (CID 4057032) is [4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate.
What is the SMILES notation for [4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate?
The canonical SMILES for [4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate is COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate?
The InChIKey is AUCAPQWZKJZNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl3N3O6S/c1-39-26-14-17(2-13-25(26)40-28(36)19-5-12-23(30)24(31)15-19)16-32-33-27(35)18-3-8-21(9-4-18)34-41(37,38)22-10-6-20(29)7-11-22/h2-16,34H,1H3,(H,33,35).
What are the key properties of [4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate?
[4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate has a molecular weight of 632.91 g/mol, XLogP of 6.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate is sourced from PubChem (CID 4057032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).