methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate

C15H13ClN2O4S — CID 5009121

IUPACmethyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O4S/c1-22-15(19)12-4-2-11(3-5-12)10-17-18-23(20,21)14-8-6-13(16)7-9-14/h2-10,18H,1H3
InChIKeyQXDFVBBPKKPQKU-UHFFFAOYSA-N
MW352.80 g/mol
LogP2.44
Rot. Bonds5

About methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate

methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate (PubChem CID 5009121) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate
PubChem CID5009121
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC Namemethyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O4S/c1-22-15(19)12-4-2-11(3-5-12)10-17-18-23(20,21)14-8-6-13(16)7-9-14/h2-10,18H,1H3
InChIKeyQXDFVBBPKKPQKU-UHFFFAOYSA-N
XLogP2.44
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 52.44
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'}

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Related Compounds

[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 4606656
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide
CID 3594304
methyl 4-[(Z)-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]hydrazinylidene]methyl]benzoate
CID 126070082
4-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 5431289
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 4232501
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4132128
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 3457911
[4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 6008417
[4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3505504

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate (CID 5009121) is methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate is COC(=O)c1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate?
The InChIKey is QXDFVBBPKKPQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c1-22-15(19)12-4-2-11(3-5-12)10-17-18-23(20,21)14-8-6-13(16)7-9-14/h2-10,18H,1H3.
What are the key properties of methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate?
methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate has a molecular weight of 352.80 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate is sourced from PubChem (CID 5009121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).