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

C21H16N4O4S — CID 4020636

IUPAC4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1
InChIInChI=1S/C21H16N4O4S/c22-30(28,29)16-10-6-7-14(13-16)23-20(26)19-17-11-4-5-12-18(17)21(27)25(24-19)15-8-2-1-3-9-15/h1-13H,(H,23,26)(H2,22,28,29)
InChIKeyYFXZDHZOGUEHAI-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.29
Rot. Bonds4

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

4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide (PubChem CID 4020636) has the molecular formula C21H16N4O4S and a molecular weight of 420.45 g/mol. Its IUPAC name is 4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide
PubChem CID4020636
Molecular FormulaC21H16N4O4S
Molecular Weight420.45 g/mol
Exact Mass420.09
IUPAC Name4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1
InChIInChI=1S/C21H16N4O4S/c22-30(28,29)16-10-6-7-14(13-16)23-20(26)19-17-11-4-5-12-18(17)21(27)25(24-19)15-8-2-1-3-9-15/h1-13H,(H,23,26)(H2,22,28,29)
InChIKeyYFXZDHZOGUEHAI-UHFFFAOYSA-N
XLogP2.29
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(dimethylsulfamoyl)phenyl]-3-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]thiourea
CID 4854176
N-(4-iodophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4811491
3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
CID 2805931
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
2-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 91424134
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
4-oxo-3-phenyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]phthalazine-1-carboxamide
CID 46582621
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 5197386
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
1-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 38764020
3-methyl-1-phenyl-N-(3-sulfamoylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 9413201

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide (CID 4020636) is 4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1.
What is the InChIKey of 4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide?
The InChIKey is YFXZDHZOGUEHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4S/c22-30(28,29)16-10-6-7-14(13-16)23-20(26)19-17-11-4-5-12-18(17)21(27)25(24-19)15-8-2-1-3-9-15/h1-13H,(H,23,26)(H2,22,28,29).
What are the key properties of 4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide?
4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide is sourced from PubChem (CID 4020636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).