N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C23H23N3O6S — CID 136772598

IUPACN-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c(O)c1
InChIInChI=1S/C23H23N3O6S/c1-15(19-12-11-17(31-2)14-21(19)27)24-25-23(28)16-7-6-8-18(13-16)33(29,30)26-20-9-4-5-10-22(20)32-3/h4-14,26-27H,1-3H3,(H,25,28)/b24-15-
InChIKeyZFDSOKVPBHQOMJ-IWIPYMOSSA-N
MW469.52 g/mol
LogP3.36
Rot. Bonds8

About N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 136772598) has the molecular formula C23H23N3O6S and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID136772598
Molecular FormulaC23H23N3O6S
Molecular Weight469.52 g/mol
Exact Mass469.13
IUPAC NameN-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c(O)c1
InChIInChI=1S/C23H23N3O6S/c1-15(19-12-11-17(31-2)14-21(19)27)24-25-23(28)16-7-6-8-18(13-16)33(29,30)26-20-9-4-5-10-22(20)32-3/h4-14,26-27H,1-3H3,(H,25,28)/b24-15-
InChIKeyZFDSOKVPBHQOMJ-IWIPYMOSSA-N
XLogP3.36
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-5-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 75452209
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
2-hydroxy-4-methoxy-N-[(Z)-1-phenylethylideneamino]benzamide
CID 126396445
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657262
3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2692046
N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24517530
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 6161520
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 43012374

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 136772598) is N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(/C(C)=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c(O)c1.
What is the InChIKey of N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is ZFDSOKVPBHQOMJ-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H23N3O6S/c1-15(19-12-11-17(31-2)14-21(19)27)24-25-23(28)16-7-6-8-18(13-16)33(29,30)26-20-9-4-5-10-22(20)32-3/h4-14,26-27H,1-3H3,(H,25,28)/b24-15-.
What are the key properties of N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 469.52 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 136772598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).