N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C17H14ClN3O4S — CID 8002235

IUPACN-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C17H14ClN3O4S/c1-26(24,25)10-6-7-13(18)15(8-10)19-16(22)9-14-11-4-2-3-5-12(11)17(23)21-20-14/h2-8H,9H2,1H3,(H,19,22)(H,21,23)
InChIKeySPXAAVMOLHPBHQ-UHFFFAOYSA-N
MW391.84 g/mol
LogP2.16
Rot. Bonds4

About N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 8002235) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID8002235
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C17H14ClN3O4S/c1-26(24,25)10-6-7-13(18)15(8-10)19-16(22)9-14-11-4-2-3-5-12(11)17(23)21-20-14/h2-8H,9H2,1H3,(H,19,22)(H,21,23)
InChIKeySPXAAVMOLHPBHQ-UHFFFAOYSA-N
XLogP2.16
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 26978300
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
N-(4-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901318
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9117000
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 60629893
methyl 2-chloro-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzoate
CID 167776226
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
N-[2-methoxy-5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)sulfonyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 155520965
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 16519944
2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 34933676

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 8002235) is N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is SPXAAVMOLHPBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c1-26(24,25)10-6-7-13(18)15(8-10)19-16(22)9-14-11-4-2-3-5-12(11)17(23)21-20-14/h2-8H,9H2,1H3,(H,19,22)(H,21,23).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 391.84 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 8002235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).