4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide

C24H23N3O6S — CID 155564275

IUPAC4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)N/N=C3\CCc4cccc(O)c43)cc2)c1
InChIInChI=1S/C24H23N3O6S/c1-32-17-9-13-22(33-2)20(14-17)27-34(30,31)18-10-6-16(7-11-18)24(29)26-25-19-12-8-15-4-3-5-21(28)23(15)19/h3-7,9-11,13-14,27-28H,8,12H2,1-2H3,(H,26,29)/b25-19+
InChIKeyQPTPVHGLUOIKMY-NCELDCMTSA-N
MW481.53 g/mol
LogP3.29
Rot. Bonds7

About 4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide

4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide (PubChem CID 155564275) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
PubChem CID155564275
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)N/N=C3\CCc4cccc(O)c43)cc2)c1
InChIInChI=1S/C24H23N3O6S/c1-32-17-9-13-22(33-2)20(14-17)27-34(30,31)18-10-6-16(7-11-18)24(29)26-25-19-12-8-15-4-3-5-21(28)23(15)19/h3-7,9-11,13-14,27-28H,8,12H2,1-2H3,(H,26,29)/b25-19+
InChIKeyQPTPVHGLUOIKMY-NCELDCMTSA-N
XLogP3.29
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.29
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-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide
CID 155553021
N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide
CID 155543040
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657262
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513297
(4E)-N-(2,5-dimethoxyphenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156077
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
CID 172999625
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063687
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
N-(2,5-dimethoxyphenyl)naphthalene-2-sulfonamide
CID 823335

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The IUPAC name of 4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide (CID 155564275) is 4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide.
What is the SMILES notation for 4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The canonical SMILES for 4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)N/N=C3\CCc4cccc(O)c43)cc2)c1.
What is the InChIKey of 4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
The InChIKey is QPTPVHGLUOIKMY-NCELDCMTSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-32-17-9-13-22(33-2)20(14-17)27-34(30,31)18-10-6-16(7-11-18)24(29)26-25-19-12-8-15-4-3-5-21(28)23(15)19/h3-7,9-11,13-14,27-28H,8,12H2,1-2H3,(H,26,29)/b25-19+.
What are the key properties of 4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide?
4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide has a molecular weight of 481.53 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxyphenyl)sulfamoyl]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide is sourced from PubChem (CID 155564275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).