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

C23H18ClN3O4S — CID 70975758

IUPAC2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2nn(NC(=O)Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18ClN3O4S/c1-15-6-12-18(13-7-15)32(30,31)22-19-4-2-3-5-20(19)23(29)27(26-22)25-21(28)14-16-8-10-17(24)11-9-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyUVZSRMWBFLVXAE-UHFFFAOYSA-N
MW467.93 g/mol
LogP3.50
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide (PubChem CID 70975758) has the molecular formula C23H18ClN3O4S and a molecular weight of 467.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
PubChem CID70975758
Molecular FormulaC23H18ClN3O4S
Molecular Weight467.93 g/mol
Exact Mass467.07
IUPAC Name2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2nn(NC(=O)Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18ClN3O4S/c1-15-6-12-18(13-7-15)32(30,31)22-19-4-2-3-5-20(19)23(29)27(26-22)25-21(28)14-16-8-10-17(24)11-9-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyUVZSRMWBFLVXAE-UHFFFAOYSA-N
XLogP3.50
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-[4-(4-cyanophenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide
CID 70975892
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
N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide
CID 53238661
2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
CID 70975926
2-(4-chlorophenyl)-N-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetamide
CID 70976085
2-(4-chlorophenyl)-N-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]acetamide;4-(2,5-dimethylphenyl)-2H-phthalazin-1-one
CID 67216561
2-(4-chlorophenyl)-N-(1-oxo-4-pyridin-4-ylsulfanylphthalazin-2-yl)acetamide
CID 70975971
N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 70976005
cyclohexyl N-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-oxophthalazin-1-yl]methyl]carbamate
CID 123960931

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide (CID 70975758) is 2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide is 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-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide?
The InChIKey is UVZSRMWBFLVXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4S/c1-15-6-12-18(13-7-15)32(30,31)22-19-4-2-3-5-20(19)23(29)27(26-22)25-21(28)14-16-8-10-17(24)11-9-16/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide?
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide has a molecular weight of 467.93 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(4-methylphenyl)sulfonyl-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 70975758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).