3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide

C23H25N3O5S2 — CID 55948834

IUPAC3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1C
InChIInChI=1S/C23H25N3O5S2/c1-3-32(28,29)26-22-13-12-20(14-17(22)2)25-23(27)19-10-7-11-21(15-19)33(30,31)24-16-18-8-5-4-6-9-18/h4-15,24,26H,3,16H2,1-2H3,(H,25,27)
InChIKeyKOMUCHVMBAUZGK-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.49
Rot. Bonds9

About 3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide

3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide (PubChem CID 55948834) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
PubChem CID55948834
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC Name3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1C
InChIInChI=1S/C23H25N3O5S2/c1-3-32(28,29)26-22-13-12-20(14-17(22)2)25-23(27)19-10-7-11-21(15-19)33(30,31)24-16-18-8-5-4-6-9-18/h4-15,24,26H,3,16H2,1-2H3,(H,25,27)
InChIKeyKOMUCHVMBAUZGK-UHFFFAOYSA-N
XLogP3.49
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]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

3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
CID 170977181
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide
CID 26637708
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55947038
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide
CID 55982018
N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109064559

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide (CID 55948834) is 3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1C.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
The InChIKey is KOMUCHVMBAUZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-3-32(28,29)26-22-13-12-20(14-17(22)2)25-23(27)19-10-7-11-21(15-19)33(30,31)24-16-18-8-5-4-6-9-18/h4-15,24,26H,3,16H2,1-2H3,(H,25,27).
What are the key properties of 3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide?
3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide has a molecular weight of 487.60 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide is sourced from PubChem (CID 55948834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).