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

C24H23N3O3S — CID 2937094

IUPAC2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NC(C)c1ccccc1
InChIInChI=1S/C24H23N3O3S/c1-16-13-14-19(23-20-11-7-8-12-21(20)24(28)27(3)25-23)15-22(16)31(29,30)26-17(2)18-9-5-4-6-10-18/h4-15,17,26H,1-3H3
InChIKeyUYUSRJDTGMGXEX-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.95
Rot. Bonds5

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

2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 2937094) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide
PubChem CID2937094
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NC(C)c1ccccc1
InChIInChI=1S/C24H23N3O3S/c1-16-13-14-19(23-20-11-7-8-12-21(20)24(28)27(3)25-23)15-22(16)31(29,30)26-17(2)18-9-5-4-6-10-18/h4-15,17,26H,1-3H3
InChIKeyUYUSRJDTGMGXEX-UHFFFAOYSA-N
XLogP3.95
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 94009680
N-(1-hydroxybutan-2-yl)-2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)benzenesulfonamide
CID 3152386
2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-one
CID 1301285
2-methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
CID 1080067
2-methoxy-N-methyl-5-[[4-[4-methyl-3-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]phthalazin-1-yl]amino]benzamide
CID 6405382
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 95103498
5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 94163199
N-(1-hydroxybutan-2-yl)-2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide
CID 4912322
2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 53054093
2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1290640
2-methyl-5-(4-oxo-3H-phthalazin-1-yl)-N-phenylbenzenesulfonamide
CID 1345082

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide (CID 2937094) is 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide is Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is UYUSRJDTGMGXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-16-13-14-19(23-20-11-7-8-12-21(20)24(28)27(3)25-23)15-22(16)31(29,30)26-17(2)18-9-5-4-6-10-18/h4-15,17,26H,1-3H3.
What are the key properties of 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide?
2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 2937094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).