N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide

C23H19ClN4O5S — CID 4874869

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H19ClN4O5S/c1-28-23(30)16-8-4-3-7-15(16)21(26-28)22(29)25-14-11-12-19(33-2)20(13-14)34(31,32)27-18-10-6-5-9-17(18)24/h3-13,27H,1-2H3,(H,25,29)
InChIKeyJYNGOOSRWKANQM-UHFFFAOYSA-N
MW498.95 g/mol
LogP3.65
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 4874869) has the molecular formula C23H19ClN4O5S and a molecular weight of 498.95 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID4874869
Molecular FormulaC23H19ClN4O5S
Molecular Weight498.95 g/mol
Exact Mass498.08
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H19ClN4O5S/c1-28-23(30)16-8-4-3-7-15(16)21(26-28)22(29)25-14-11-12-19(33-2)20(13-14)34(31,32)27-18-10-6-5-9-17(18)24/h3-13,27H,1-2H3,(H,25,29)
InChIKeyJYNGOOSRWKANQM-UHFFFAOYSA-N
XLogP3.65
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.95
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(4-Methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 4317858
N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 4842619
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4832415
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4876785
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4847869
N-(3-chlorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}acetamide
CID 3427503
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4803460
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815796
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4844551
3-[2-(4-Ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 16322790
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 3287649
N-(2-Chloro-4-fluorophenyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxamide
CID 5130322

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 4874869) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide is COc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is JYNGOOSRWKANQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O5S/c1-28-23(30)16-8-4-3-7-15(16)21(26-28)22(29)25-14-11-12-19(33-2)20(13-14)34(31,32)27-18-10-6-5-9-17(18)24/h3-13,27H,1-2H3,(H,25,29).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 498.95 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 4874869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).