2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide

C18H15F3N4O4S — CID 35713248

IUPAC2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4O4S/c19-18(20,21)11-23-30(28,29)14-7-5-13(6-8-14)24-16(26)10-25-17(27)15-4-2-1-3-12(15)9-22-25/h1-9,23H,10-11H2,(H,24,26)
InChIKeyUPEAWQJIPINIGX-UHFFFAOYSA-N
MW440.40 g/mol
LogP1.88
Rot. Bonds6

About 2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide

2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide (PubChem CID 35713248) has the molecular formula C18H15F3N4O4S and a molecular weight of 440.40 g/mol. Its IUPAC name is 2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide
PubChem CID35713248
Molecular FormulaC18H15F3N4O4S
Molecular Weight440.40 g/mol
Exact Mass440.08
IUPAC Name2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4O4S/c19-18(20,21)11-23-30(28,29)14-7-5-13(6-8-14)24-16(26)10-25-17(27)15-4-2-1-3-12(15)9-22-25/h1-9,23H,10-11H2,(H,24,26)
InChIKeyUPEAWQJIPINIGX-UHFFFAOYSA-N
XLogP1.88
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide (CID 35713248) is 2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide is O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide?
The InChIKey is UPEAWQJIPINIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4S/c19-18(20,21)11-23-30(28,29)14-7-5-13(6-8-14)24-16(26)10-25-17(27)15-4-2-1-3-12(15)9-22-25/h1-9,23H,10-11H2,(H,24,26).
What are the key properties of 2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide?
2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide has a molecular weight of 440.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 35713248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).