[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

C20H13Cl3N2O4S — CID 4132128

IUPAC[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SMILESO=C(Oc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl3N2O4S/c21-14-3-8-17(9-4-14)30(27,28)25-24-12-13-1-6-16(7-2-13)29-20(26)18-10-5-15(22)11-19(18)23/h1-12,25H
InChIKeyXVPOFWFYOHXHON-UHFFFAOYSA-N
MW483.76 g/mol
LogP5.18
Rot. Bonds6

About [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (PubChem CID 4132128) has the molecular formula C20H13Cl3N2O4S and a molecular weight of 483.76 g/mol. Its IUPAC name is [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
PubChem CID4132128
Molecular FormulaC20H13Cl3N2O4S
Molecular Weight483.76 g/mol
Exact Mass481.97
IUPAC Name[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SMILESO=C(Oc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl3N2O4S/c21-14-3-8-17(9-4-14)30(27,28)25-24-12-13-1-6-16(7-2-13)29-20(26)18-10-5-15(22)11-19(18)23/h1-12,25H
InChIKeyXVPOFWFYOHXHON-UHFFFAOYSA-N
XLogP5.18
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.76
LogP ≤ 55.18
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'}

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Related Compounds

[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 4232501
[4-[[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4197542
[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 4606656
(4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate
CID 168530505
[4-[(Z)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6023250
[4-[[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3544117
[4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3505504
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3422845
methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate
CID 5009121
[4-[[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3555201
[4-[(dimethylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3624021
[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 5185562

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The IUPAC name of [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (CID 4132128) is [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The canonical SMILES for [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is O=C(Oc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The InChIKey is XVPOFWFYOHXHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N2O4S/c21-14-3-8-17(9-4-14)30(27,28)25-24-12-13-1-6-16(7-2-13)29-20(26)18-10-5-15(22)11-19(18)23/h1-12,25H.
What are the key properties of [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate has a molecular weight of 483.76 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 4132128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).