4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide

C15H12N4O4S — CID 2103773

IUPAC4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C15H12N4O4S/c16-24(22,23)10-7-5-9(6-8-10)17-15(21)13-11-3-1-2-4-12(11)14(20)19-18-13/h1-8H,(H,17,21)(H,19,20)(H2,16,22,23)
InChIKeyRWCLHJONGNNQOV-UHFFFAOYSA-N
MW344.35 g/mol
LogP0.82
Rot. Bonds3

About 4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide

4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide (PubChem CID 2103773) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is 4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide
PubChem CID2103773
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC Name4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C15H12N4O4S/c16-24(22,23)10-7-5-9(6-8-10)17-15(21)13-11-3-1-2-4-12(11)14(20)19-18-13/h1-8H,(H,17,21)(H,19,20)(H2,16,22,23)
InChIKeyRWCLHJONGNNQOV-UHFFFAOYSA-N
XLogP0.82
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-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-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4855019
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 2496757
N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43429946
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 39938891
4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide
CID 60555807
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60552718
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79042904
N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 166185009

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide (CID 2103773) is 4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide?
The InChIKey is RWCLHJONGNNQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c16-24(22,23)10-7-5-9(6-8-10)17-15(21)13-11-3-1-2-4-12(11)14(20)19-18-13/h1-8H,(H,17,21)(H,19,20)(H2,16,22,23).
What are the key properties of 4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide?
4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 2103773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).