4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide

C24H21N5O2S — CID 4904992

About 4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide

4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 4904992) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide
• PubChem CID: 4904992
• Molecular Formula: C24H21N5O2S
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.14
• IUPAC Name: 4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)Nc2cc(-c3nn4c(C)nnc4c4ccccc34)ccc2C)cc1
• InChI: InChI=1S/C24H21N5O2S/c1-15-8-12-19(13-9-15)32(30,31)28-22-14-18(11-10-16(22)2)23-20-6-4-5-7-21(20)24-26-25-17(3)29(24)27-23/h4-14,28H,1-3H3
• InChIKey: DUHVPZITTCDBTI-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 89.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide?

The IUPAC name of 4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide (CID 4904992) is 4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide.

What is the SMILES notation for 4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide?

The canonical SMILES for 4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3nn4c(C)nnc4c4ccccc34)ccc2C)cc1.

What is the InChIKey of 4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide?

The InChIKey is DUHVPZITTCDBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-15-8-12-19(13-9-15)32(30,31)28-22-14-18(11-10-16(22)2)23-20-6-4-5-7-21(20)24-26-25-17(3)29(24)27-23/h4-14,28H,1-3H3.

What are the key properties of 4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide?

4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 443.53 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 4904992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).