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

C18H15FN4O3S — CID 2082393

IUPAC2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H15FN4O3S/c19-16-5-2-1-4-13(16)12-17(24)22-14-6-8-15(9-7-14)27(25,26)23-18-20-10-3-11-21-18/h1-11H,12H2,(H,22,24)(H,20,21,23)
InChIKeyPCWAYSNYYKLQRU-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.60
Rot. Bonds6

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

2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 2082393) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID2082393
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC Name2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H15FN4O3S/c19-16-5-2-1-4-13(16)12-17(24)22-14-6-8-15(9-7-14)27(25,26)23-18-20-10-3-11-21-18/h1-11H,12H2,(H,22,24)(H,20,21,23)
InChIKeyPCWAYSNYYKLQRU-UHFFFAOYSA-N
XLogP2.60
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 2082393) is 2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is O=C(Cc1ccccc1F)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is PCWAYSNYYKLQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c19-16-5-2-1-4-13(16)12-17(24)22-14-6-8-15(9-7-14)27(25,26)23-18-20-10-3-11-21-18/h1-11H,12H2,(H,22,24)(H,20,21,23).
What are the key properties of 2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 386.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2082393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).