4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

C26H23N3O4S — CID 1249615

IUPAC4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1cc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C26H23N3O4S/c1-32-25-17-21(10-15-24(25)33-19-20-7-3-2-4-8-20)18-28-22-11-13-23(14-12-22)34(30,31)29-26-9-5-6-16-27-26/h2-18H,19H2,1H3,(H,27,29)/b28-18+
InChIKeyRTDVYXXXLKHXJU-MTDXEUNCSA-N
MW473.55 g/mol
LogP5.22
Rot. Bonds9

About 4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 1249615) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is 4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID1249615
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC Name4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1cc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C26H23N3O4S/c1-32-25-17-21(10-15-24(25)33-19-20-7-3-2-4-8-20)18-28-22-11-13-23(14-12-22)34(30,31)29-26-9-5-6-16-27-26/h2-18H,19H2,1H3,(H,27,29)/b28-18+
InChIKeyRTDVYXXXLKHXJU-MTDXEUNCSA-N
XLogP5.22
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.55
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

MRGPRX1 agonist 1
CID 139030531
6-methoxy-N-pyridin-2-ylnaphthalene-2-sulfonamide
CID 747350
5-[[4-[2-[4-(4-Aminophenyl)sulfonylanilino]ethoxy]-3-methoxy-phenyl]methyl]pyrimidine-2,4-diamine
CID 5271326
N-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-1-phenylmethanesulfonamide
CID 9938153
Tribrissen
CID 64932
N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CID 4338178
Primor
CID 134848
N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
CID 801380
2-(4-Isopropyl-phenoxy)-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1078192
2-(3,5-Dimethylphenoxy)-N-{4-[(pyridin-2-YL)sulfamoyl]phenyl}acetamide
CID 1078193
2-(3,4-dimethylphenoxy)-N-{4-[(2-pyridylamino)sulfonyl]phenyl}acetamide
CID 1078194
2-(2,4-Dimethyl-phenoxy)-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1078201

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (CID 1249615) is 4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is COc1cc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1OCc1ccccc1.
What is the InChIKey of 4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is RTDVYXXXLKHXJU-MTDXEUNCSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-32-25-17-21(10-15-24(25)33-19-20-7-3-2-4-8-20)18-28-22-11-13-23(14-12-22)34(30,31)29-26-9-5-6-16-27-26/h2-18H,19H2,1H3,(H,27,29)/b28-18+.
What are the key properties of 4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 473.55 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 1249615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).