2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide

C23H21BrClFN2O4S — CID 21079662

IUPAC2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2C)cc1Oc1cc(Br)cc(F)c1Cl
InChIInChI=1S/C23H21BrClFN2O4S/c1-3-15-5-4-14(9-20(15)32-21-12-16(24)11-18(26)23(21)25)10-22(29)28-19-7-6-17(8-13(19)2)33(27,30)31/h4-9,11-12H,3,10H2,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyVCCNREXOEDGRJY-UHFFFAOYSA-N
MW555.85 g/mol
LogP5.73
Rot. Bonds7

About 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide

2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide (PubChem CID 21079662) has the molecular formula C23H21BrClFN2O4S and a molecular weight of 555.85 g/mol. Its IUPAC name is 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
PubChem CID21079662
Molecular FormulaC23H21BrClFN2O4S
Molecular Weight555.85 g/mol
Exact Mass554.01
IUPAC Name2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2C)cc1Oc1cc(Br)cc(F)c1Cl
InChIInChI=1S/C23H21BrClFN2O4S/c1-3-15-5-4-14(9-20(15)32-21-12-16(24)11-18(26)23(21)25)10-22(29)28-19-7-6-17(8-13(19)2)33(27,30)31/h4-9,11-12H,3,10H2,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyVCCNREXOEDGRJY-UHFFFAOYSA-N
XLogP5.73
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.85
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 11584831
2-[4-chloro-3-[3-cyano-5-(difluoromethyl)phenoxy]-2-fluorophenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 11720601
2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 21079576
2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
CID 21079577
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-chlorophenyl)acetamide
CID 21079661
2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
CID 21079663
2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 21079705
2-[4-chloro-3-[3-cyano-5-(1,1-difluoroethyl)phenoxy]-2-fluorophenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 21079708
2-[4-chloro-3-[3-cyano-5-(trifluoromethyl)phenoxy]-2-fluorophenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 21079716
2-[4-chloro-3-[3-cyano-5-(trifluoromethyl)phenoxy]phenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 21079718

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide (CID 21079662) is 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide is CCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2C)cc1Oc1cc(Br)cc(F)c1Cl.
What is the InChIKey of 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The InChIKey is VCCNREXOEDGRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrClFN2O4S/c1-3-15-5-4-14(9-20(15)32-21-12-16(24)11-18(26)23(21)25)10-22(29)28-19-7-6-17(8-13(19)2)33(27,30)31/h4-9,11-12H,3,10H2,1-2H3,(H,28,29)(H2,27,30,31).
What are the key properties of 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide has a molecular weight of 555.85 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-bromo-2-chloro-3-fluorophenoxy)-4-ethylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 21079662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).