N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide

C25H25N5O3S — CID 6413286

IUPACN-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2nnc(Nc3ccccc3)c3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C25H25N5O3S/c1-34(31,32)29-22-17-18(11-12-23(22)30-13-15-33-16-14-30)24-20-9-5-6-10-21(20)25(28-27-24)26-19-7-3-2-4-8-19/h2-12,17,29H,13-16H2,1H3,(H,26,28)
InChIKeyFMAGPSQZTGAEEC-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.25
Rot. Bonds6

About N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide

N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide (PubChem CID 6413286) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide
PubChem CID6413286
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC NameN-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2nnc(Nc3ccccc3)c3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C25H25N5O3S/c1-34(31,32)29-22-17-18(11-12-23(22)30-13-15-33-16-14-30)24-20-9-5-6-10-21(20)25(28-27-24)26-19-7-3-2-4-8-19/h2-12,17,29H,13-16H2,1H3,(H,26,28)
InChIKeyFMAGPSQZTGAEEC-UHFFFAOYSA-N
XLogP4.25
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]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-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide?
The IUPAC name of N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide (CID 6413286) is N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2nnc(Nc3ccccc3)c3ccccc23)ccc1N1CCOCC1.
What is the InChIKey of N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide?
The InChIKey is FMAGPSQZTGAEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-34(31,32)29-22-17-18(11-12-23(22)30-13-15-33-16-14-30)24-20-9-5-6-10-21(20)25(28-27-24)26-19-7-3-2-4-8-19/h2-12,17,29H,13-16H2,1H3,(H,26,28).
What are the key properties of N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide?
N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide has a molecular weight of 475.57 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-anilinophthalazin-1-yl)-2-morpholin-4-ylphenyl]methanesulfonamide is sourced from PubChem (CID 6413286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).