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

C23H23BrN2O5S — CID 17352919

IUPAC5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3OCC)cc2)cc1
InChIInChI=1S/C23H23BrN2O5S/c1-3-30-19-10-6-18(7-11-19)26-32(28,29)20-12-8-17(9-13-20)25-23(27)21-15-16(24)5-14-22(21)31-4-2/h5-15,26H,3-4H2,1-2H3,(H,25,27)
InChIKeyLJLKUBUYOCYFKR-UHFFFAOYSA-N
MW519.42 g/mol
LogP5.30
Rot. Bonds9

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

5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 17352919) has the molecular formula C23H23BrN2O5S and a molecular weight of 519.42 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID17352919
Molecular FormulaC23H23BrN2O5S
Molecular Weight519.42 g/mol
Exact Mass518.05
IUPAC Name5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3OCC)cc2)cc1
InChIInChI=1S/C23H23BrN2O5S/c1-3-30-19-10-6-18(7-11-19)26-32(28,29)20-12-8-17(9-13-20)25-23(27)21-15-16(24)5-14-22(21)31-4-2/h5-15,26H,3-4H2,1-2H3,(H,25,27)
InChIKeyLJLKUBUYOCYFKR-UHFFFAOYSA-N
XLogP5.30
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.42
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17350003
5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352839
5-bromo-2-butoxy-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17350442
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
5-bromo-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17051179
5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17343317
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
5-bromo-2-(2-methoxyethoxy)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17357443
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
5-bromo-2-hexoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17343411
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094210
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide (CID 17352919) is 5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3OCC)cc2)cc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is LJLKUBUYOCYFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O5S/c1-3-30-19-10-6-18(7-11-19)26-32(28,29)20-12-8-17(9-13-20)25-23(27)21-15-16(24)5-14-22(21)31-4-2/h5-15,26H,3-4H2,1-2H3,(H,25,27).
What are the key properties of 5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide?
5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 519.42 g/mol, XLogP of 5.30, 9 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-ethoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 17352919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).