N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide

C24H20ClN5O2S — CID 75650381

About N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide

N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 75650381) has the molecular formula C24H20ClN5O2S and a molecular weight of 477.98 g/mol. Its IUPAC name is N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide
• PubChem CID: 75650381
• Molecular Formula: C24H20ClN5O2S
• Molecular Weight: 477.98 g/mol
• Exact Mass: 477.10
• IUPAC Name: N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)Nc2nc3n(n2)C(c2ccccc2Cl)CC(c2ccccc2)=N3)cc1
• InChI: InChI=1S/C24H20ClN5O2S/c1-16-11-13-18(14-12-16)33(31,32)29-23-27-24-26-21(17-7-3-2-4-8-17)15-22(30(24)28-23)19-9-5-6-10-20(19)25/h2-14,22H,15H2,1H3,(H,28,29)
• InChIKey: YGRNZCOOPWPMFL-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 89.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.98
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide?

The IUPAC name of N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide (CID 75650381) is N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide.

What is the SMILES notation for N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide?

The canonical SMILES for N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3n(n2)C(c2ccccc2Cl)CC(c2ccccc2)=N3)cc1.

What is the InChIKey of N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide?

The InChIKey is YGRNZCOOPWPMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2S/c1-16-11-13-18(14-12-16)33(31,32)29-23-27-24-26-21(17-7-3-2-4-8-17)15-22(30(24)28-23)19-9-5-6-10-20(19)25/h2-14,22H,15H2,1H3,(H,28,29).

What are the key properties of N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide?

N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 477.98 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(2-chlorophenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 75650381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).