N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide

C25H23ClN4O4S — CID 1419297

IUPACN-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C25H23ClN4O4S/c1-16-11-12-17(13-22(16)35(33,34)29(2)3)24-20-9-4-5-10-21(20)25(32)30(28-24)15-23(31)27-19-8-6-7-18(26)14-19/h4-14H,15H2,1-3H3,(H,27,31)
InChIKeyCRZNGDQZLIUDKG-UHFFFAOYSA-N
MW511.00 g/mol
LogP3.91
Rot. Bonds6

About N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide

N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide (PubChem CID 1419297) has the molecular formula C25H23ClN4O4S and a molecular weight of 511.00 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
PubChem CID1419297
Molecular FormulaC25H23ClN4O4S
Molecular Weight511.00 g/mol
Exact Mass510.11
IUPAC NameN-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C25H23ClN4O4S/c1-16-11-12-17(13-22(16)35(33,34)29(2)3)24-20-9-4-5-10-21(20)25(32)30(28-24)15-23(31)27-19-8-6-7-18(26)14-19/h4-14H,15H2,1-3H3,(H,27,31)
InChIKeyCRZNGDQZLIUDKG-UHFFFAOYSA-N
XLogP3.91
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.00
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
CID 1259083
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
CID 3277505
N-(3-chlorophenyl)-2-[4-(3-nitrophenyl)-1-oxophthalazin-2-yl]acetamide
CID 1422902
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methylphenyl)acetamide
CID 1080053
methyl 2-[4-[[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-oxophthalazin-2-yl]acetyl]amino]phenoxy]acetate
CID 4314030
N-cyclopropyl-3-[[2-[4-(3,4-difluorophenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzamide
CID 33099057
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 3911125

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide (CID 1419297) is N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide is Cc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide?
The InChIKey is CRZNGDQZLIUDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O4S/c1-16-11-12-17(13-22(16)35(33,34)29(2)3)24-20-9-4-5-10-21(20)25(32)30(28-24)15-23(31)27-19-8-6-7-18(26)14-19/h4-14H,15H2,1-3H3,(H,27,31).
What are the key properties of N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide?
N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide has a molecular weight of 511.00 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 1419297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).