4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide

C23H23ClN2O5S — CID 24547957

IUPAC4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3)ccc2Cl)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-16-4-3-5-20(14-16)31-13-12-25-23(27)17-6-11-21(24)22(15-17)32(28,29)26-18-7-9-19(30-2)10-8-18/h3-11,14-15,26H,12-13H2,1-2H3,(H,25,27)
InChIKeyNLCZIGHQWKZPSP-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.27
Rot. Bonds9

About 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide

4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 24547957) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID24547957
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3)ccc2Cl)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-16-4-3-5-20(14-16)31-13-12-25-23(27)17-6-11-21(24)22(15-17)32(28,29)26-18-7-9-19(30-2)10-8-18/h3-11,14-15,26H,12-13H2,1-2H3,(H,25,27)
InChIKeyNLCZIGHQWKZPSP-UHFFFAOYSA-N
XLogP4.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]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

4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
CID 24549447
4-chloro-N-[2-(3-methylphenoxy)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17488166
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide
CID 30858884
methyl 4-chloro-3-[3-(3-methylphenoxy)propylsulfamoyl]benzoate
CID 35317371
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55959975
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24504263
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 46523366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 24547957) is 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is NLCZIGHQWKZPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-16-4-3-5-20(14-16)31-13-12-25-23(27)17-6-11-21(24)22(15-17)32(28,29)26-18-7-9-19(30-2)10-8-18/h3-11,14-15,26H,12-13H2,1-2H3,(H,25,27).
What are the key properties of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide?
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 474.97 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 24547957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).