(Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide

C17H18N4O5S — CID 135738688

IUPAC(Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide
SMILESCNS(=O)(=O)c1ccc(O)c(/N=N/C(C(=O)Nc2ccccc2)=C(/C)O)c1
InChIInChI=1S/C17H18N4O5S/c1-11(22)16(17(24)19-12-6-4-3-5-7-12)21-20-14-10-13(8-9-15(14)23)27(25,26)18-2/h3-10,18,22-23H,1-2H3,(H,19,24)/b16-11-,21-20+
InChIKeySOTNWWNAKJFVMB-FPIDQHAWSA-N
MW390.42 g/mol
LogP2.81
Rot. Bonds6

About (Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide

(Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide (PubChem CID 135738688) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide
PubChem CID135738688
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name(Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide
SMILESCNS(=O)(=O)c1ccc(O)c(/N=N/C(C(=O)Nc2ccccc2)=C(/C)O)c1
InChIInChI=1S/C17H18N4O5S/c1-11(22)16(17(24)19-12-6-4-3-5-7-12)21-20-14-10-13(8-9-15(14)23)27(25,26)18-2/h3-10,18,22-23H,1-2H3,(H,19,24)/b16-11-,21-20+
InChIKeySOTNWWNAKJFVMB-FPIDQHAWSA-N
XLogP2.81
TPSA140.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide?
The IUPAC name of (Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide (CID 135738688) is (Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide is CNS(=O)(=O)c1ccc(O)c(/N=N/C(C(=O)Nc2ccccc2)=C(/C)O)c1.
What is the InChIKey of (Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide?
The InChIKey is SOTNWWNAKJFVMB-FPIDQHAWSA-N. The full InChI is InChI=1S/C17H18N4O5S/c1-11(22)16(17(24)19-12-6-4-3-5-7-12)21-20-14-10-13(8-9-15(14)23)27(25,26)18-2/h3-10,18,22-23H,1-2H3,(H,19,24)/b16-11-,21-20+.
What are the key properties of (Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide?
(Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide has a molecular weight of 390.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide is sourced from PubChem (CID 135738688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).