methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate

C19H16N2O5S — CID 3429984

IUPACmethyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(C=NNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C19H16N2O5S/c1-25-19(22)17-10-6-5-9-16(17)18-12-11-14(26-18)13-20-21-27(23,24)15-7-3-2-4-8-15/h2-13,21H,1H3
InChIKeyYCEIQZCNPUMPKI-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.05
Rot. Bonds6

About methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate

methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate (PubChem CID 3429984) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate
PubChem CID3429984
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Namemethyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(C=NNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C19H16N2O5S/c1-25-19(22)17-10-6-5-9-16(17)18-12-11-14(26-18)13-20-21-27(23,24)15-7-3-2-4-8-15/h2-13,21H,1H3
InChIKeyYCEIQZCNPUMPKI-UHFFFAOYSA-N
XLogP3.05
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.05
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

methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6888698
methyl 2-[5-[(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 4271764
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
CID 5431725
methyl 2-[5-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126254581
methyl 2-[5-[(4-chlorophenyl)iminomethyl]furan-2-yl]benzoate
CID 963942
N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 2002760
2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
methyl 2-[5-[(Z)-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]iminomethyl]furan-2-yl]benzoate
CID 124536940
methyl 2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoate
CID 50883648
methyl 2-(5-acetylfuran-2-yl)benzoate
CID 16649203
methyl 2-[5-[(Z)-[[2-(1,3-benzodioxol-5-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126229949
methyl 2-[5-[(E)-[[5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carbonyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126414321

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate?
The IUPAC name of methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate (CID 3429984) is methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate.
What is the SMILES notation for methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate?
The canonical SMILES for methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate is COC(=O)c1ccccc1-c1ccc(C=NNS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate?
The InChIKey is YCEIQZCNPUMPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-25-19(22)17-10-6-5-9-16(17)18-12-11-14(26-18)13-20-21-27(23,24)15-7-3-2-4-8-15/h2-13,21H,1H3.
What are the key properties of methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate?
methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate has a molecular weight of 384.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(benzenesulfonylhydrazinylidene)methyl]furan-2-yl]benzoate is sourced from PubChem (CID 3429984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).