(3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate

C23H23NO4S — CID 2683510

IUPAC(3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H23NO4S/c1-4-24(20-8-6-5-7-9-20)29(26,27)22-14-11-19(12-15-22)23(25)28-21-13-10-17(2)18(3)16-21/h5-16H,4H2,1-3H3
InChIKeyXZGNAJPTOLEVRC-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.74
Rot. Bonds6

About (3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate

(3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate (PubChem CID 2683510) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is (3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
PubChem CID2683510
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC Name(3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H23NO4S/c1-4-24(20-8-6-5-7-9-20)29(26,27)22-14-11-19(12-15-22)23(25)28-21-13-10-17(2)18(3)16-21/h5-16H,4H2,1-3H3
InChIKeyXZGNAJPTOLEVRC-UHFFFAOYSA-N
XLogP4.74
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate 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-cyanophenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2710043
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587724
benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 16532328
(3,4-dimethylphenyl) 4-methylsulfonylbenzoate
CID 2671374
(4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate
CID 2678971
[4-[benzenesulfonyl(methyl)amino]phenyl] 3,4-dimethylbenzoate
CID 71904341
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587922
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587682
N-(4,5-dimethoxy-2-methylphenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17429226
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 4856047
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903412
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of (3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate (CID 2683510) is (3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for (3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for (3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1.
What is the InChIKey of (3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate?
The InChIKey is XZGNAJPTOLEVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-4-24(20-8-6-5-7-9-20)29(26,27)22-14-11-19(12-15-22)23(25)28-21-13-10-17(2)18(3)16-21/h5-16H,4H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate?
(3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate has a molecular weight of 409.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2683510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).