[5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate

C15H15N3O6S — CID 45109414

IUPAC[5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(/C=N/NC(=O)c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C15H15N3O6S/c1-10(19)23-9-13-5-4-12(24-13)8-17-18-15(20)11-2-6-14(7-3-11)25(16,21)22/h2-8H,9H2,1H3,(H,18,20)(H2,16,21,22)/b17-8+
InChIKeyUZSIRQUDWBOOTO-CAOOACKPSA-N
MW365.37 g/mol
LogP0.75
Rot. Bonds6

About [5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate

[5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate (PubChem CID 45109414) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is [5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate
PubChem CID45109414
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name[5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(/C=N/NC(=O)c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C15H15N3O6S/c1-10(19)23-9-13-5-4-12(24-13)8-17-18-15(20)11-2-6-14(7-3-11)25(16,21)22/h2-8H,9H2,1H3,(H,18,20)(H2,16,21,22)/b17-8+
InChIKeyUZSIRQUDWBOOTO-CAOOACKPSA-N
XLogP0.75
TPSA141.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

[5-[[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]furan-2-yl]methyl acetate
CID 6736418
4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
CID 9215163
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-4-sulfamoylbenzamide
CID 45109579
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 6901877
4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide
CID 6736191
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
sodium 5-[[(4-fluorobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 171151557
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
4-butoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 90675804

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate?
The IUPAC name of [5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate (CID 45109414) is [5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate.
What is the SMILES notation for [5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate?
The canonical SMILES for [5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate is CC(=O)OCc1ccc(/C=N/NC(=O)c2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of [5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate?
The InChIKey is UZSIRQUDWBOOTO-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15N3O6S/c1-10(19)23-9-13-5-4-12(24-13)8-17-18-15(20)11-2-6-14(7-3-11)25(16,21)22/h2-8H,9H2,1H3,(H,18,20)(H2,16,21,22)/b17-8+.
What are the key properties of [5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate?
[5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate has a molecular weight of 365.37 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-[(4-sulfamoylbenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl acetate is sourced from PubChem (CID 45109414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).