5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

C22H21BrN2O5S — CID 17352839

IUPAC5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H21BrN2O5S/c1-3-30-21-13-4-15(23)14-20(21)22(26)24-16-7-11-19(12-8-16)31(27,28)25-17-5-9-18(29-2)10-6-17/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyHNJBEVLMIJKNLR-UHFFFAOYSA-N
MW505.39 g/mol
LogP4.91
Rot. Bonds8

About 5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 17352839) has the molecular formula C22H21BrN2O5S and a molecular weight of 505.39 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID17352839
Molecular FormulaC22H21BrN2O5S
Molecular Weight505.39 g/mol
Exact Mass504.04
IUPAC Name5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H21BrN2O5S/c1-3-30-21-13-4-15(23)14-20(21)22(26)24-16-7-11-19(12-8-16)31(27,28)25-17-5-9-18(29-2)10-6-17/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyHNJBEVLMIJKNLR-UHFFFAOYSA-N
XLogP4.91
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.39
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]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

5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352919
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17343317
5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17350003
5-bromo-2-(2-methoxyethoxy)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17357443
5-bromo-2-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17094436
5-bromo-2-butoxy-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17350442
5-bromo-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17051179
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094210
5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17094279
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094227

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 17352839) is 5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is CCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is HNJBEVLMIJKNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O5S/c1-3-30-21-13-4-15(23)14-20(21)22(26)24-16-7-11-19(12-8-16)31(27,28)25-17-5-9-18(29-2)10-6-17/h4-14,25H,3H2,1-2H3,(H,24,26).
What are the key properties of 5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 505.39 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 17352839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).