3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

C26H23N3O4S — CID 3652547

IUPAC3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3c(O)ccc4ccccc34)c2)c(C)c1
InChIInChI=1S/C26H23N3O4S/c1-17-10-12-24(18(2)14-17)29-34(32,33)21-8-5-7-20(15-21)26(31)28-27-16-23-22-9-4-3-6-19(22)11-13-25(23)30/h3-16,29-30H,1-2H3,(H,28,31)
InChIKeyMAPOMDBFOFEHRP-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.73
Rot. Bonds6

About 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 3652547) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID3652547
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3c(O)ccc4ccccc34)c2)c(C)c1
InChIInChI=1S/C26H23N3O4S/c1-17-10-12-24(18(2)14-17)29-34(32,33)21-8-5-7-20(15-21)26(31)28-27-16-23-22-9-4-3-6-19(22)11-13-25(23)30/h3-16,29-30H,1-2H3,(H,28,31)
InChIKeyMAPOMDBFOFEHRP-UHFFFAOYSA-N
XLogP4.73
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 6274738
N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3889183
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide
CID 6902807
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 42991202
3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135837487
3-acetamido-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135684551
3-chloro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 137122870
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135616123
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
2-(2,4-dimethylphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137258704
3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137064419

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 3652547) is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3c(O)ccc4ccccc34)c2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is MAPOMDBFOFEHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-17-10-12-24(18(2)14-17)29-34(32,33)21-8-5-7-20(15-21)26(31)28-27-16-23-22-9-4-3-6-19(22)11-13-25(23)30/h3-16,29-30H,1-2H3,(H,28,31).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 473.55 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 3652547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).