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

C20H15BrCl2N2O4S — CID 21079557

IUPAC2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Oc3cc(Cl)ccc3Br)c2)cc1
InChIInChI=1S/C20H15BrCl2N2O4S/c21-16-7-2-13(22)11-18(16)29-19-9-12(1-8-17(19)23)10-20(26)25-14-3-5-15(6-4-14)30(24,27)28/h1-9,11H,10H2,(H,25,26)(H2,24,27,28)
InChIKeyVAPXFFRJQPQBKP-UHFFFAOYSA-N
MW530.23 g/mol
LogP5.38
Rot. Bonds6

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

2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 21079557) has the molecular formula C20H15BrCl2N2O4S and a molecular weight of 530.23 g/mol. Its IUPAC name is 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID21079557
Molecular FormulaC20H15BrCl2N2O4S
Molecular Weight530.23 g/mol
Exact Mass527.93
IUPAC Name2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Oc3cc(Cl)ccc3Br)c2)cc1
InChIInChI=1S/C20H15BrCl2N2O4S/c21-16-7-2-13(22)11-18(16)29-19-9-12(1-8-17(19)23)10-20(26)25-14-3-5-15(6-4-14)30(24,27)28/h1-9,11H,10H2,(H,25,26)(H2,24,27,28)
InChIKeyVAPXFFRJQPQBKP-UHFFFAOYSA-N
XLogP5.38
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.23
LogP ≤ 55.38
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-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide (CID 21079557) is 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Oc3cc(Cl)ccc3Br)c2)cc1.
What is the InChIKey of 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is VAPXFFRJQPQBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrCl2N2O4S/c21-16-7-2-13(22)11-18(16)29-19-9-12(1-8-17(19)23)10-20(26)25-14-3-5-15(6-4-14)30(24,27)28/h1-9,11H,10H2,(H,25,26)(H2,24,27,28).
What are the key properties of 2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide?
2-[3-(2-bromo-5-chlorophenoxy)-4-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 530.23 g/mol, XLogP of 5.38, 6 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-chlorophenyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 21079557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).