2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C18H14Br2N4O4S — CID 1183038

IUPAC2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H14Br2N4O4S/c19-12-2-7-16(15(20)10-12)28-11-17(25)23-13-3-5-14(6-4-13)29(26,27)24-18-21-8-1-9-22-18/h1-10H,11H2,(H,23,25)(H,21,22,24)
InChIKeyIIUYKGOLWRTUMP-UHFFFAOYSA-N
MW542.21 g/mol
LogP3.82
Rot. Bonds7

About 2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1183038) has the molecular formula C18H14Br2N4O4S and a molecular weight of 542.21 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1183038
Molecular FormulaC18H14Br2N4O4S
Molecular Weight542.21 g/mol
Exact Mass539.91
IUPAC Name2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H14Br2N4O4S/c19-12-2-7-16(15(20)10-12)28-11-17(25)23-13-3-5-14(6-4-13)29(26,27)24-18-21-8-1-9-22-18/h1-10H,11H2,(H,23,25)(H,21,22,24)
InChIKeyIIUYKGOLWRTUMP-UHFFFAOYSA-N
XLogP3.82
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.21
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 1183038) is 2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is O=C(COc1ccc(Br)cc1Br)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is IIUYKGOLWRTUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N4O4S/c19-12-2-7-16(15(20)10-12)28-11-17(25)23-13-3-5-14(6-4-13)29(26,27)24-18-21-8-1-9-22-18/h1-10H,11H2,(H,23,25)(H,21,22,24).
What are the key properties of 2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 542.21 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1183038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).