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

C24H22ClN3O6S — CID 155553021

IUPACN-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)N/N=C3\CCc4c(Cl)ccc(O)c43)cc2)c1
InChIInChI=1S/C24H22ClN3O6S/c1-33-15-5-12-22(34-2)20(13-15)28-35(31,32)16-6-3-14(4-7-16)24(30)27-26-19-10-8-17-18(25)9-11-21(29)23(17)19/h3-7,9,11-13,28-29H,8,10H2,1-2H3,(H,27,30)/b26-19+
InChIKeyPRUXRHAEZXWKAO-LGUFXXKBSA-N
MW515.98 g/mol
LogP3.94
Rot. Bonds7

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

N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide (PubChem CID 155553021) has the molecular formula C24H22ClN3O6S and a molecular weight of 515.98 g/mol. Its IUPAC name is N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide
PubChem CID155553021
Molecular FormulaC24H22ClN3O6S
Molecular Weight515.98 g/mol
Exact Mass515.09
IUPAC NameN-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)N/N=C3\CCc4c(Cl)ccc(O)c43)cc2)c1
InChIInChI=1S/C24H22ClN3O6S/c1-33-15-5-12-22(34-2)20(13-15)28-35(31,32)16-6-3-14(4-7-16)24(30)27-26-19-10-8-17-18(25)9-11-21(29)23(17)19/h3-7,9,11-13,28-29H,8,10H2,1-2H3,(H,27,30)/b26-19+
InChIKeyPRUXRHAEZXWKAO-LGUFXXKBSA-N
XLogP3.94
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.98
LogP ≤ 53.94
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzamide
CID 155564275
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
(4E)-N-(2,5-dimethoxyphenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156077
4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 56821059
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135
N-[(E)-[2-[(2,5-dimethoxyphenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-4-carboxamide
CID 19158261
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99940107
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096
1-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 155520641

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide (CID 155553021) is N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)N/N=C3\CCc4c(Cl)ccc(O)c43)cc2)c1.
What is the InChIKey of N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is PRUXRHAEZXWKAO-LGUFXXKBSA-N. The full InChI is InChI=1S/C24H22ClN3O6S/c1-33-15-5-12-22(34-2)20(13-15)28-35(31,32)16-6-3-14(4-7-16)24(30)27-26-19-10-8-17-18(25)9-11-21(29)23(17)19/h3-7,9,11-13,28-29H,8,10H2,1-2H3,(H,27,30)/b26-19+.
What are the key properties of N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide?
N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 515.98 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-4-[(2,5-dimethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 155553021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).