N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide

C22H16FN3O4S — CID 70976163

IUPACN-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C22H16FN3O4S/c23-16-12-10-15(11-13-16)14-20(27)24-26-22(28)19-9-5-4-8-18(19)21(25-26)31(29,30)17-6-2-1-3-7-17/h1-13H,14H2,(H,24,27)
InChIKeyZHYKOHKNUPHKNJ-UHFFFAOYSA-N
MW437.45 g/mol
LogP2.68
Rot. Bonds5

About N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide

N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 70976163) has the molecular formula C22H16FN3O4S and a molecular weight of 437.45 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID70976163
Molecular FormulaC22H16FN3O4S
Molecular Weight437.45 g/mol
Exact Mass437.08
IUPAC NameN-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C22H16FN3O4S/c23-16-12-10-15(11-13-16)14-20(27)24-26-22(28)19-9-5-4-8-18(19)21(25-26)31(29,30)17-6-2-1-3-7-17/h1-13H,14H2,(H,24,27)
InChIKeyZHYKOHKNUPHKNJ-UHFFFAOYSA-N
XLogP2.68
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide (CID 70976163) is N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is ZHYKOHKNUPHKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O4S/c23-16-12-10-15(11-13-16)14-20(27)24-26-22(28)19-9-5-4-8-18(19)21(25-26)31(29,30)17-6-2-1-3-7-17/h1-13H,14H2,(H,24,27).
What are the key properties of N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide?
N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 437.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 70976163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).