2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide

C22H20BrClN2O4S — CID 21079559

IUPAC2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)ccc1Br
InChIInChI=1S/C22H20BrClN2O4S/c1-2-15-4-3-14(11-20(15)30-21-13-16(24)5-10-19(21)23)12-22(27)26-17-6-8-18(9-7-17)31(25,28)29/h3-11,13H,2,12H2,1H3,(H,26,27)(H2,25,28,29)
InChIKeyYHRDEWDUQGZYMX-UHFFFAOYSA-N
MW523.84 g/mol
LogP5.29
Rot. Bonds7

About 2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide

2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 21079559) has the molecular formula C22H20BrClN2O4S and a molecular weight of 523.84 g/mol. Its IUPAC name is 2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID21079559
Molecular FormulaC22H20BrClN2O4S
Molecular Weight523.84 g/mol
Exact Mass522.00
IUPAC Name2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)ccc1Br
InChIInChI=1S/C22H20BrClN2O4S/c1-2-15-4-3-14(11-20(15)30-21-13-16(24)5-10-19(21)23)12-22(27)26-17-6-8-18(9-7-17)31(25,28)29/h3-11,13H,2,12H2,1H3,(H,26,27)(H2,25,28,29)
InChIKeyYHRDEWDUQGZYMX-UHFFFAOYSA-N
XLogP5.29
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.84
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide (CID 21079559) is 2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide is CCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)ccc1Br.
What is the InChIKey of 2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is YHRDEWDUQGZYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrClN2O4S/c1-2-15-4-3-14(11-20(15)30-21-13-16(24)5-10-19(21)23)12-22(27)26-17-6-8-18(9-7-17)31(25,28)29/h3-11,13H,2,12H2,1H3,(H,26,27)(H2,25,28,29).
What are the key properties of 2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 523.84 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 21079559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).