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

C23H20N4O5S — CID 4803460

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C23H20N4O5S/c1-27-23(29)18-11-4-3-10-17(18)21(25-27)22(28)24-15-8-7-9-16(14-15)33(30,31)26-19-12-5-6-13-20(19)32-2/h3-14,26H,1-2H3,(H,24,28)
InChIKeyYMDYHIBYUAFDSK-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.00
Rot. Bonds6

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

N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 4803460) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID4803460
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C23H20N4O5S/c1-27-23(29)18-11-4-3-10-17(18)21(25-27)22(28)24-15-8-7-9-16(14-15)33(30,31)26-19-12-5-6-13-20(19)32-2/h3-14,26H,1-2H3,(H,24,28)
InChIKeyYMDYHIBYUAFDSK-UHFFFAOYSA-N
XLogP3.00
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 4803460) is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is YMDYHIBYUAFDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S/c1-27-23(29)18-11-4-3-10-17(18)21(25-27)22(28)24-15-8-7-9-16(14-15)33(30,31)26-19-12-5-6-13-20(19)32-2/h3-14,26H,1-2H3,(H,24,28).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 4803460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).