N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide

C26H23ClF2N4O5S — CID 1259083

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)Nc3ccc(OC(F)(F)Cl)cc3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C26H23ClF2N4O5S/c1-16-8-9-17(14-22(16)39(36,37)32(2)3)24-20-6-4-5-7-21(20)25(35)33(31-24)15-23(34)30-18-10-12-19(13-11-18)38-26(27,28)29/h4-14H,15H2,1-3H3,(H,30,34)
InChIKeyUPXNTWGCTYFYEC-UHFFFAOYSA-N
MW577.01 g/mol
LogP4.43
Rot. Bonds8

About N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide

N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide (PubChem CID 1259083) has the molecular formula C26H23ClF2N4O5S and a molecular weight of 577.01 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
PubChem CID1259083
Molecular FormulaC26H23ClF2N4O5S
Molecular Weight577.01 g/mol
Exact Mass576.10
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)Nc3ccc(OC(F)(F)Cl)cc3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C26H23ClF2N4O5S/c1-16-8-9-17(14-22(16)39(36,37)32(2)3)24-20-6-4-5-7-21(20)25(35)33(31-24)15-23(34)30-18-10-12-19(13-11-18)38-26(27,28)29/h4-14H,15H2,1-3H3,(H,30,34)
InChIKeyUPXNTWGCTYFYEC-UHFFFAOYSA-N
XLogP4.43
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.01
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
CID 1419297
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
CID 3277505
methyl 2-[4-[[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-oxophthalazin-2-yl]acetyl]amino]phenoxy]acetate
CID 4314030
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide
CID 1080064
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methylphenyl)acetamide
CID 1080053
2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride
CID 119907721
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4845449
N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 5008520
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 4280881

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide (CID 1259083) is N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide is Cc1ccc(-c2nn(CC(=O)Nc3ccc(OC(F)(F)Cl)cc3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide?
The InChIKey is UPXNTWGCTYFYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N4O5S/c1-16-8-9-17(14-22(16)39(36,37)32(2)3)24-20-6-4-5-7-21(20)25(35)33(31-24)15-23(34)30-18-10-12-19(13-11-18)38-26(27,28)29/h4-14H,15H2,1-3H3,(H,30,34).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide has a molecular weight of 577.01 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 1259083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).