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

C17H17N3O3S — CID 157040140

IUPACN-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H17N3O3S/c1-18-24(22,23)11-12-7-9-13(10-8-12)16-14-5-3-4-6-15(14)17(21)20(2)19-16/h3-10,18H,11H2,1-2H3
InChIKeyIQMPUMTZFVDARK-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.65
Rot. Bonds4

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

N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide (PubChem CID 157040140) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide
PubChem CID157040140
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H17N3O3S/c1-18-24(22,23)11-12-7-9-13(10-8-12)16-14-5-3-4-6-15(14)17(21)20(2)19-16/h3-10,18H,11H2,1-2H3
InChIKeyIQMPUMTZFVDARK-UHFFFAOYSA-N
XLogP1.65
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide (CID 157040140) is N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide is CNS(=O)(=O)Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide?
The InChIKey is IQMPUMTZFVDARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-18-24(22,23)11-12-7-9-13(10-8-12)16-14-5-3-4-6-15(14)17(21)20(2)19-16/h3-10,18H,11H2,1-2H3.
What are the key properties of N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide?
N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 157040140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).