N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide

C24H22N4O4S — CID 5197386

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C24H22N4O4S/c1-16-13-14-17(15-21(16)33(31,32)27(2)3)25-23(29)22-19-11-7-8-12-20(19)24(30)28(26-22)18-9-5-4-6-10-18/h4-15H,1-3H3,(H,25,29)
InChIKeyQIESSAWDJKKFPI-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.20
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 5197386) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID5197386
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C24H22N4O4S/c1-16-13-14-17(15-21(16)33(31,32)27(2)3)25-23(29)22-19-11-7-8-12-20(19)24(30)28(26-22)18-9-5-4-6-10-18/h4-15H,1-3H3,(H,25,29)
InChIKeyQIESSAWDJKKFPI-UHFFFAOYSA-N
XLogP3.20
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-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

Related Compounds

N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 5019286
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
1-[3-(dimethylsulfamoyl)phenyl]-3-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]thiourea
CID 4854176
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide
CID 4020636
N-(4-iodophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4811491
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815755
N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4810818
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 3282398

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 5197386) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide is Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is QIESSAWDJKKFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-16-13-14-17(15-21(16)33(31,32)27(2)3)25-23(29)22-19-11-7-8-12-20(19)24(30)28(26-22)18-9-5-4-6-10-18/h4-15H,1-3H3,(H,25,29).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 5197386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).