2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C22H26N4O4S — CID 2006835

IUPAC2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C22H26N4O4S/c1-16-7-8-17(21-18-5-3-4-6-19(18)22(27)25(2)24-21)15-20(16)31(28,29)23-9-10-26-11-13-30-14-12-26/h3-8,15,23H,9-14H2,1-2H3
InChIKeyYFGOBNGQMGHQTH-UHFFFAOYSA-N
MW442.54 g/mol
LogP1.52
Rot. Bonds6

About 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide

2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 2006835) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID2006835
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C22H26N4O4S/c1-16-7-8-17(21-18-5-3-4-6-19(18)22(27)25(2)24-21)15-20(16)31(28,29)23-9-10-26-11-13-30-14-12-26/h3-8,15,23H,9-14H2,1-2H3
InChIKeyYFGOBNGQMGHQTH-UHFFFAOYSA-N
XLogP1.52
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide
CID 4283114
2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
CID 1080067
N,N-diethyl-2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
CID 1979983
2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]-N,N-dimethylacetamide
CID 1918785
N-(2-methoxyethyl)-2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
CID 644993
ethyl 2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]sulfonylamino]acetate
CID 660518
2-[[2-Methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]sulfonylamino]acetic acid ethyl ester
CID 661612
2-{4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2(1H)-yl}acetamide
CID 1146880
methyl {4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2(1H)-yl}acetate
CID 1146881
N,N,2-trimethyl-5-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]benzenesulfonamide
CID 1343048
N-butyl-2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
CID 1846173
2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
CID 2928579

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 2006835) is 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is YFGOBNGQMGHQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-16-7-8-17(21-18-5-3-4-6-19(18)22(27)25(2)24-21)15-20(16)31(28,29)23-9-10-26-11-13-30-14-12-26/h3-8,15,23H,9-14H2,1-2H3.
What are the key properties of 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 442.54 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2006835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).