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

C22H20BrClN2O4S — CID 21079610

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

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

2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 21079610) has the molecular formula C22H20BrClN2O4S and a molecular weight of 523.84 g/mol. Its IUPAC name is 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID21079610
Molecular FormulaC22H20BrClN2O4S
Molecular Weight523.84 g/mol
Exact Mass522.00
IUPAC Name2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)cc(Br)c1
InChIInChI=1S/C22H20BrClN2O4S/c1-2-15-4-3-14(9-21(15)30-19-12-16(23)11-17(24)13-19)10-22(27)26-18-5-7-20(8-6-18)31(25,28)29/h3-9,11-13H,2,10H2,1H3,(H,26,27)(H2,25,28,29)
InChIKeyJTQZVHQBTAUWSG-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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Related Compounds

2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 11599486
Elsulfavirine
CID 11527519
Elsulfavirine sodium
CID 46175184
N-(2-bromo-4-sulfamoyl-phenyl)-2-[4-(3-chloro-5-cyano-phenoxy)-2,3-dimethyl-phenyl]acetamide
CID 49768075
2-[3-bromo-4-(3-chloro-5-cyano-phenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
CID 49768088
N-(2-bromo-4-sulfamoyl-phenyl)-2-[4-(3-chloro-5-cyano-phenoxy)-3-methoxy-phenyl]acetamide
CID 49768095
2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 11511778
2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 11584831
N-[3-chloro-4-[[2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]acetyl]amino]phenyl]sulfonylpropanamide
CID 11671522
2-[3-(3-bromo-5-cyanophenoxy)-4-chloro-2-fluorophenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 21079611
2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 21079612
2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 21079662

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide (CID 21079610) is 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide is CCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)cc(Br)c1.
What is the InChIKey of 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is JTQZVHQBTAUWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrClN2O4S/c1-2-15-4-3-14(9-21(15)30-19-12-16(23)11-17(24)13-19)10-22(27)26-18-5-7-20(8-6-18)31(25,28)29/h3-9,11-13H,2,10H2,1H3,(H,26,27)(H2,25,28,29).
What are the key properties of 2-[3-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
2-[3-(3-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-(3-bromo-5-chlorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 21079610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).