N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide

C18H19N3O3S — CID 1085031

IUPACN-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide
SMILESCc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNS(C)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-12-8-9-13(10-14(12)11-19-25(3,23)24)17-15-6-4-5-7-16(15)18(22)21(2)20-17/h4-10,19H,11H2,1-3H3
InChIKeyMNHJRYSNYUHZPZ-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.96
Rot. Bonds4

About N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide

N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide (PubChem CID 1085031) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide
PubChem CID1085031
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide
SMILESCc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNS(C)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-12-8-9-13(10-14(12)11-19-25(3,23)24)17-15-6-4-5-7-16(15)18(22)21(2)20-17/h4-10,19H,11H2,1-3H3
InChIKeyMNHJRYSNYUHZPZ-UHFFFAOYSA-N
XLogP1.96
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide 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 N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide (CID 1085031) is N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide is Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNS(C)(=O)=O.
What is the InChIKey of N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide?
The InChIKey is MNHJRYSNYUHZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-8-9-13(10-14(12)11-19-25(3,23)24)17-15-6-4-5-7-16(15)18(22)21(2)20-17/h4-10,19H,11H2,1-3H3.
What are the key properties of N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide?
N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 1085031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).