ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate

C19H21BrN2O5S — CID 23628624

IUPACethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate
SMILESCCOC(=O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1c(Br)cc(C)cc1OC
InChIInChI=1S/C19H21BrN2O5S/c1-5-27-19(23)18(17-15(20)10-13(3)11-16(17)26-4)21-22-28(24,25)14-8-6-12(2)7-9-14/h6-11,22H,5H2,1-4H3/b21-18-
InChIKeyLYDNPRPHPLFDJD-UZYVYHOESA-N
MW469.36 g/mol
LogP3.32
Rot. Bonds7

About ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate

ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate (PubChem CID 23628624) has the molecular formula C19H21BrN2O5S and a molecular weight of 469.36 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate
PubChem CID23628624
Molecular FormulaC19H21BrN2O5S
Molecular Weight469.36 g/mol
Exact Mass468.04
IUPAC Nameethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate
SMILESCCOC(=O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1c(Br)cc(C)cc1OC
InChIInChI=1S/C19H21BrN2O5S/c1-5-27-19(23)18(17-15(20)10-13(3)11-16(17)26-4)21-22-28(24,25)14-8-6-12(2)7-9-14/h6-11,22H,5H2,1-4H3/b21-18-
InChIKeyLYDNPRPHPLFDJD-UZYVYHOESA-N
XLogP3.32
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

dimethyl 2-[(4-methylphenyl)sulfonylhydrazinylidene]butanedioate
CID 2798179
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 6173114
ethyl (2E)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyloxyiminoacetate
CID 22648636
1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84809527
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 1369575
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 136849979
ethyl 2-(4-methylphenyl)-2-methylsulfonyloxyiminoacetate
CID 58079029
ethyl 2-bromo-3-[(4-methylphenyl)sulfonylamino]-3-(3,4,5-trimethoxyphenyl)propanoate
CID 74954972
N-[(Z)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135891670
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 134934643

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate?
The IUPAC name of ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate (CID 23628624) is ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate is CCOC(=O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1c(Br)cc(C)cc1OC.
What is the InChIKey of ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate?
The InChIKey is LYDNPRPHPLFDJD-UZYVYHOESA-N. The full InChI is InChI=1S/C19H21BrN2O5S/c1-5-27-19(23)18(17-15(20)10-13(3)11-16(17)26-4)21-22-28(24,25)14-8-6-12(2)7-9-14/h6-11,22H,5H2,1-4H3/b21-18-.
What are the key properties of ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate?
ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate has a molecular weight of 469.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-bromo-6-methoxy-4-methylphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]acetate is sourced from PubChem (CID 23628624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).