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

C22H20BrClN2O4S — CID 21079567

IUPAC2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)Cc1ccc(C)c(Oc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C22H20BrClN2O4S/c1-13-3-4-15(10-20(13)30-21-12-16(24)5-7-18(21)23)11-22(27)26-19-8-6-17(9-14(19)2)31(25,28)29/h3-10,12H,11H2,1-2H3,(H,26,27)(H2,25,28,29)
InChIKeyAZDHDJLMMUOARC-UHFFFAOYSA-N
MW523.84 g/mol
LogP5.34
Rot. Bonds6

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

2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide (PubChem CID 21079567) 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-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
PubChem CID21079567
Molecular FormulaC22H20BrClN2O4S
Molecular Weight523.84 g/mol
Exact Mass522.00
IUPAC Name2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)Cc1ccc(C)c(Oc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C22H20BrClN2O4S/c1-13-3-4-15(10-20(13)30-21-12-16(24)5-7-18(21)23)11-22(27)26-19-8-6-17(9-14(19)2)31(25,28)29/h3-10,12H,11H2,1-2H3,(H,26,27)(H2,25,28,29)
InChIKeyAZDHDJLMMUOARC-UHFFFAOYSA-N
XLogP5.34
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.84
LogP ≤ 55.34
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-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide (CID 21079567) is 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)Cc1ccc(C)c(Oc2cc(Cl)ccc2Br)c1.
What is the InChIKey of 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The InChIKey is AZDHDJLMMUOARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrClN2O4S/c1-13-3-4-15(10-20(13)30-21-12-16(24)5-7-18(21)23)11-22(27)26-19-8-6-17(9-14(19)2)31(25,28)29/h3-10,12H,11H2,1-2H3,(H,26,27)(H2,25,28,29).
What are the key properties of 2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
2-[3-(2-bromo-5-chlorophenoxy)-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide has a molecular weight of 523.84 g/mol, XLogP of 5.34, 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-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 21079567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).