3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide

C20H15Cl2N3O6S — CID 2391068

IUPAC3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(O)c(O)c1O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C20H15Cl2N3O6S/c21-13-5-6-15(22)16(9-13)25-32(30,31)14-3-1-2-11(8-14)20(29)24-23-10-12-4-7-17(26)19(28)18(12)27/h1-10,25-28H,(H,24,29)
InChIKeyNDCJOXMXGFZONC-UHFFFAOYSA-N
MW496.33 g/mol
LogP3.67
Rot. Bonds6

About 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide

3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide (PubChem CID 2391068) has the molecular formula C20H15Cl2N3O6S and a molecular weight of 496.33 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
PubChem CID2391068
Molecular FormulaC20H15Cl2N3O6S
Molecular Weight496.33 g/mol
Exact Mass495.01
IUPAC Name3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(O)c(O)c1O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C20H15Cl2N3O6S/c21-13-5-6-15(22)16(9-13)25-32(30,31)14-3-1-2-11(8-14)20(29)24-23-10-12-4-7-17(26)19(28)18(12)27/h1-10,25-28H,(H,24,29)
InChIKeyNDCJOXMXGFZONC-UHFFFAOYSA-N
XLogP3.67
TPSA148.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.33
LogP ≤ 53.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 2327297
3-(diethylsulfamoyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 135401277
3-[(4-chlorophenyl)sulfamoyl]-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2332623
3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 6893292
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359899
N-(1,3-benzodioxol-5-ylmethylideneamino)-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 2325258
3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 2325539
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 46803829
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6904494
3-[(4-chlorophenyl)sulfamoyl]-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 2332306
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
CID 71557223
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 6154481

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide (CID 2391068) is 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide is O=C(NN=Cc1ccc(O)c(O)c1O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is NDCJOXMXGFZONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O6S/c21-13-5-6-15(22)16(9-13)25-32(30,31)14-3-1-2-11(8-14)20(29)24-23-10-12-4-7-17(26)19(28)18(12)27/h1-10,25-28H,(H,24,29).
What are the key properties of 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide?
3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 496.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 2391068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).