methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate

C19H17N3O5S — CID 50883870

IUPACmethyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(C=NNc3ccc(S(N)(=O)=O)cc3)o2)cc1
InChIInChI=1S/C19H17N3O5S/c1-26-19(23)14-4-2-13(3-5-14)18-11-8-16(27-18)12-21-22-15-6-9-17(10-7-15)28(20,24)25/h2-12,22H,1H3,(H2,20,24,25)
InChIKeyAEWKWULDFPABTH-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.83
Rot. Bonds6

About methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate

methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate (PubChem CID 50883870) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
PubChem CID50883870
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Namemethyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(C=NNc3ccc(S(N)(=O)=O)cc3)o2)cc1
InChIInChI=1S/C19H17N3O5S/c1-26-19(23)14-4-2-13(3-5-14)18-11-8-16(27-18)12-21-22-15-6-9-17(10-7-15)28(20,24)25/h2-12,22H,1H3,(H2,20,24,25)
InChIKeyAEWKWULDFPABTH-UHFFFAOYSA-N
XLogP2.83
TPSA123.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.83
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

4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
CID 50883679
4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
CID 9215163
methyl 4-(4-sulfamoylphenyl)benzoate
CID 122194771
4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide
CID 3765394
4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 51138316
methyl 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 40533746
methyl 4-[5-(1,2,4-triazol-4-yliminomethyl)furan-2-yl]benzoate
CID 3784898
methyl 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 5457786
N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 9211886
1-(4-propan-2-ylphenyl)-3-[(E)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiourea
CID 42992296
ethyl 4-[5-[(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 840770
ethyl 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoate
CID 5343083

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate?
The IUPAC name of methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate (CID 50883870) is methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate?
The canonical SMILES for methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate is COC(=O)c1ccc(-c2ccc(C=NNc3ccc(S(N)(=O)=O)cc3)o2)cc1.
What is the InChIKey of methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate?
The InChIKey is AEWKWULDFPABTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-26-19(23)14-4-2-13(3-5-14)18-11-8-16(27-18)12-21-22-15-6-9-17(10-7-15)28(20,24)25/h2-12,22H,1H3,(H2,20,24,25).
What are the key properties of methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate?
methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate has a molecular weight of 399.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate is sourced from PubChem (CID 50883870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).