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

C18H19N3O4S — CID 1295754

IUPACN-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide
SMILESCOc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNS(C)(=O)=O
InChIInChI=1S/C18H19N3O4S/c1-21-18(22)15-7-5-4-6-14(15)17(20-21)12-8-9-16(25-2)13(10-12)11-19-26(3,23)24/h4-10,19H,11H2,1-3H3
InChIKeyMWTKPENKLVNDSP-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.66
Rot. Bonds5

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

N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide (PubChem CID 1295754) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide
PubChem CID1295754
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide
SMILESCOc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNS(C)(=O)=O
InChIInChI=1S/C18H19N3O4S/c1-21-18(22)15-7-5-4-6-14(15)17(20-21)12-8-9-16(25-2)13(10-12)11-19-26(3,23)24/h4-10,19H,11H2,1-3H3
InChIKeyMWTKPENKLVNDSP-UHFFFAOYSA-N
XLogP1.66
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-methoxy-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-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide (CID 1295754) is N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide is COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNS(C)(=O)=O.
What is the InChIKey of N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide?
The InChIKey is MWTKPENKLVNDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-21-18(22)15-7-5-4-6-14(15)17(20-21)12-8-9-16(25-2)13(10-12)11-19-26(3,23)24/h4-10,19H,11H2,1-3H3.
What are the key properties of N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide?
N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 1295754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).