N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide

C22H15F2N3O4S — CID 56927667

IUPACN-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C22H15F2N3O4S/c23-15-10-14(11-16(24)13-15)12-20(28)25-27-22(29)19-9-5-4-8-18(19)21(26-27)32(30,31)17-6-2-1-3-7-17/h1-11,13H,12H2,(H,25,28)
InChIKeySQONTWKFNRCGSY-UHFFFAOYSA-N
MW455.44 g/mol
LogP2.82
Rot. Bonds5

About N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide

N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide (PubChem CID 56927667) has the molecular formula C22H15F2N3O4S and a molecular weight of 455.44 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide
PubChem CID56927667
Molecular FormulaC22H15F2N3O4S
Molecular Weight455.44 g/mol
Exact Mass455.08
IUPAC NameN-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C22H15F2N3O4S/c23-15-10-14(11-16(24)13-15)12-20(28)25-27-22(29)19-9-5-4-8-18(19)21(26-27)32(30,31)17-6-2-1-3-7-17/h1-11,13H,12H2,(H,25,28)
InChIKeySQONTWKFNRCGSY-UHFFFAOYSA-N
XLogP2.82
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 52.82
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-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide (CID 56927667) is N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide is O=C(Cc1cc(F)cc(F)c1)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide?
The InChIKey is SQONTWKFNRCGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O4S/c23-15-10-14(11-16(24)13-15)12-20(28)25-27-22(29)19-9-5-4-8-18(19)21(26-27)32(30,31)17-6-2-1-3-7-17/h1-11,13H,12H2,(H,25,28).
What are the key properties of N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide?
N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide has a molecular weight of 455.44 g/mol, XLogP of 2.82, 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-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 56927667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).