2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide

C17H16N4O4S — CID 1122989

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)c2ccccc12
InChIInChI=1S/C17H16N4O4S/c1-11-14-4-2-3-5-15(14)17(23)21(20-11)10-16(22)19-12-6-8-13(9-7-12)26(18,24)25/h2-9H,10H2,1H3,(H,19,22)(H2,18,24,25)
InChIKeyAEQJUZXIKWKOAF-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.99
Rot. Bonds4

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 1122989) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID1122989
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)c2ccccc12
InChIInChI=1S/C17H16N4O4S/c1-11-14-4-2-3-5-15(14)17(23)21(20-11)10-16(22)19-12-6-8-13(9-7-12)26(18,24)25/h2-9H,10H2,1H3,(H,19,22)(H2,18,24,25)
InChIKeyAEQJUZXIKWKOAF-UHFFFAOYSA-N
XLogP0.99
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide (CID 1122989) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide is Cc1nn(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is AEQJUZXIKWKOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-11-14-4-2-3-5-15(14)17(23)21(20-11)10-16(22)19-12-6-8-13(9-7-12)26(18,24)25/h2-9H,10H2,1H3,(H,19,22)(H2,18,24,25).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 372.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 1122989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).