2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide

C23H15ClN4O4S — CID 70975892

IUPAC2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
SMILESN#Cc1ccc(S(=O)(=O)c2nn(NC(=O)Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H15ClN4O4S/c24-17-9-5-15(6-10-17)13-21(29)26-28-23(30)20-4-2-1-3-19(20)22(27-28)33(31,32)18-11-7-16(14-25)8-12-18/h1-12H,13H2,(H,26,29)
InChIKeyCCNIUVSOBMMLKR-UHFFFAOYSA-N
MW478.92 g/mol
LogP3.07
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide

2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide (PubChem CID 70975892) has the molecular formula C23H15ClN4O4S and a molecular weight of 478.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
PubChem CID70975892
Molecular FormulaC23H15ClN4O4S
Molecular Weight478.92 g/mol
Exact Mass478.05
IUPAC Name2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
SMILESN#Cc1ccc(S(=O)(=O)c2nn(NC(=O)Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H15ClN4O4S/c24-17-9-5-15(6-10-17)13-21(29)26-28-23(30)20-4-2-1-3-19(20)22(27-28)33(31,32)18-11-7-16(14-25)8-12-18/h1-12H,13H2,(H,26,29)
InChIKeyCCNIUVSOBMMLKR-UHFFFAOYSA-N
XLogP3.07
TPSA121.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
CID 70975758
N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide
CID 70976163
N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(3,5-difluorophenyl)acetamide
CID 56927667
2-(4-bromophenyl)-N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 53238894
N-(4-tert-butylsulfanyl-1-oxophthalazin-2-yl)-2-(4-chlorophenyl)acetamide
CID 70976061
2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
CID 70975926
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-(4-chlorophenyl)-N-(1-oxo-4-pyridin-4-ylsulfanylphthalazin-2-yl)acetamide
CID 70975971
2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide
CID 70976085
N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide
CID 70975827
cyclohexyl N-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-oxophthalazin-1-yl]methyl]carbamate
CID 123960931
N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 70976005

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide (CID 70975892) is 2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide is N#Cc1ccc(S(=O)(=O)c2nn(NC(=O)Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide?
The InChIKey is CCNIUVSOBMMLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O4S/c24-17-9-5-15(6-10-17)13-21(29)26-28-23(30)20-4-2-1-3-19(20)22(27-28)33(31,32)18-11-7-16(14-25)8-12-18/h1-12H,13H2,(H,26,29).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide?
2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide has a molecular weight of 478.92 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 70975892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).