[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate

C20H14Cl2N2O4S — CID 4232501

IUPAC[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
SMILESO=C(Oc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1Cl
InChIInChI=1S/C20H14Cl2N2O4S/c21-15-7-11-17(12-8-15)29(26,27)24-23-13-14-5-9-16(10-6-14)28-20(25)18-3-1-2-4-19(18)22/h1-13,24H
InChIKeyYZRBKHGDQRJZID-UHFFFAOYSA-N
MW449.32 g/mol
LogP4.53
Rot. Bonds6

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

[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate (PubChem CID 4232501) has the molecular formula C20H14Cl2N2O4S and a molecular weight of 449.32 g/mol. Its IUPAC name is [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
PubChem CID4232501
Molecular FormulaC20H14Cl2N2O4S
Molecular Weight449.32 g/mol
Exact Mass448.01
IUPAC Name[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
SMILESO=C(Oc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1Cl
InChIInChI=1S/C20H14Cl2N2O4S/c21-15-7-11-17(12-8-15)29(26,27)24-23-13-14-5-9-16(10-6-14)28-20(25)18-3-1-2-4-19(18)22/h1-13,24H
InChIKeyYZRBKHGDQRJZID-UHFFFAOYSA-N
XLogP4.53
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.32
LogP ≤ 54.53
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] 2,4-dichlorobenzoate
CID 4132128
[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 4606656
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate
CID 6164119
(4-methanehydrazonoylphenyl) 2-chlorobenzoate
CID 168530478
methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate
CID 5009121
[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 6908577
[4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3505504
[4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate
CID 880858
[4-[(E)-hydroxyiminomethyl]phenyl] 2-chlorobenzoate
CID 6897896
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5439954
4-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 5431289

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate?
The IUPAC name of [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate (CID 4232501) is [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate.
What is the SMILES notation for [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate?
The canonical SMILES for [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate is O=C(Oc1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1Cl.
What is the InChIKey of [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate?
The InChIKey is YZRBKHGDQRJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O4S/c21-15-7-11-17(12-8-15)29(26,27)24-23-13-14-5-9-16(10-6-14)28-20(25)18-3-1-2-4-19(18)22/h1-13,24H.
What are the key properties of [4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate?
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate has a molecular weight of 449.32 g/mol, XLogP of 4.53, 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-chlorobenzoate is sourced from PubChem (CID 4232501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).