N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide

C24H27N3O3S — CID 50763892

About N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide

N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide (PubChem CID 50763892) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide
• PubChem CID: 50763892
• Molecular Formula: C24H27N3O3S
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.18
• IUPAC Name: N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide
• SMILES: CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(C)c1C
• InChI: InChI=1S/C24H27N3O3S/c1-4-17-12-13-18(23-19-9-5-6-10-20(19)24(28)26-25-23)14-22(17)31(29,30)27-21-11-7-8-15(2)16(21)3/h7-8,11-14,27H,4-6,9-10H2,1-3H3,(H,26,28)
• InChIKey: OFMWGXFVYSAPEB-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 91.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide?

The IUPAC name of N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide (CID 50763892) is N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide.

What is the SMILES notation for N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide?

The canonical SMILES for N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide is CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(C)c1C.

What is the InChIKey of N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide?

The InChIKey is OFMWGXFVYSAPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-4-17-12-13-18(23-19-9-5-6-10-20(19)24(28)26-25-23)14-22(17)31(29,30)27-21-11-7-8-15(2)16(21)3/h7-8,11-14,27H,4-6,9-10H2,1-3H3,(H,26,28).

What are the key properties of N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide?

N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide has a molecular weight of 437.57 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 50763892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).