phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate

C25H26N2O5S — CID 91017918

IUPACphenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate
SMILESCCCc1ccc(S(=O)(=O)Oc2ccccc2)c(C=NNC(=O)Cc2cccc(OC)c2)c1
InChIInChI=1S/C25H26N2O5S/c1-3-8-19-13-14-24(33(29,30)32-22-10-5-4-6-11-22)21(15-19)18-26-27-25(28)17-20-9-7-12-23(16-20)31-2/h4-7,9-16,18H,3,8,17H2,1-2H3,(H,27,28)
InChIKeyFGNCYNXBUGNXBK-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.11
Rot. Bonds10

About phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate

phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate (PubChem CID 91017918) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate.

Molecular Properties

Compound Namephenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate
PubChem CID91017918
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Namephenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate
SMILESCCCc1ccc(S(=O)(=O)Oc2ccccc2)c(C=NNC(=O)Cc2cccc(OC)c2)c1
InChIInChI=1S/C25H26N2O5S/c1-3-8-19-13-14-24(33(29,30)32-22-10-5-4-6-11-22)21(15-19)18-26-27-25(28)17-20-9-7-12-23(16-20)31-2/h4-7,9-16,18H,3,8,17H2,1-2H3,(H,27,28)
InChIKeyFGNCYNXBUGNXBK-UHFFFAOYSA-N
XLogP4.11
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.11
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'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

phenyl 4-butoxy-2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]benzenesulfonate
CID 90939000
phenyl 2-ethoxy-6-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-methylbenzenesulfonate
CID 22185677
phenyl 2-[[[2-(3-chlorophenyl)acetyl]hydrazinylidene]methyl]-4-(trifluoromethyl)benzenesulfonate
CID 91478905
[2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 4-phenoxybenzenesulfonate
CID 73234068
phenyl 2-[(E)-[[2-(2,4-dimethoxyphenyl)acetyl]hydrazinylidene]methyl]-4-(trifluoromethyl)benzenesulfonate
CID 87983423
[2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 2,5-dichlorothiophene-3-sulfonate
CID 73234064
phenyl 4-(trifluoromethyl)-2-[[[2-(3,4,5-trimethoxyphenyl)acetyl]hydrazinylidene]methyl]benzenesulfonate
CID 90984017
pyridin-2-yl 3-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-methylbenzenesulfonate
CID 87982520
N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 136618840
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135538036
2-methoxy-6-[2-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl]-4-methylbenzenesulfonic acid
CID 87989794
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135719851

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate?
The IUPAC name of phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate (CID 91017918) is phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate.
What is the SMILES notation for phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate?
The canonical SMILES for phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate is CCCc1ccc(S(=O)(=O)Oc2ccccc2)c(C=NNC(=O)Cc2cccc(OC)c2)c1.
What is the InChIKey of phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate?
The InChIKey is FGNCYNXBUGNXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-3-8-19-13-14-24(33(29,30)32-22-10-5-4-6-11-22)21(15-19)18-26-27-25(28)17-20-9-7-12-23(16-20)31-2/h4-7,9-16,18H,3,8,17H2,1-2H3,(H,27,28).
What are the key properties of phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate?
phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate has a molecular weight of 466.56 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate is sourced from PubChem (CID 91017918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).