2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide

C15H13N3O3S — CID 742945

IUPAC2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide
SMILESCc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(N)(=O)=O
InChIInChI=1S/C15H13N3O3S/c1-9-6-7-10(8-13(9)22(16,20)21)14-11-4-2-3-5-12(11)15(19)18-17-14/h2-8H,1H3,(H,18,19)(H2,16,20,21)
InChIKeyJOHQSVLEDNHAOI-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.55
Rot. Bonds2

About 2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide

2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide (PubChem CID 742945) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide
PubChem CID742945
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide
SMILESCc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(N)(=O)=O
InChIInChI=1S/C15H13N3O3S/c1-9-6-7-10(8-13(9)22(16,20)21)14-11-4-2-3-5-12(11)15(19)18-17-14/h2-8H,1H3,(H,18,19)(H2,16,20,21)
InChIKeyJOHQSVLEDNHAOI-UHFFFAOYSA-N
XLogP1.55
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide 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 2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide (CID 742945) is 2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide is Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide?
The InChIKey is JOHQSVLEDNHAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-9-6-7-10(8-13(9)22(16,20)21)14-11-4-2-3-5-12(11)15(19)18-17-14/h2-8H,1H3,(H,18,19)(H2,16,20,21).
What are the key properties of 2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide?
2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 742945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).