2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide

C24H23F3N4O4S — CID 70656863

About 2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide

2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide (PubChem CID 70656863) has the molecular formula C24H23F3N4O4S and a molecular weight of 520.53 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
• PubChem CID: 70656863
• Molecular Formula: C24H23F3N4O4S
• Molecular Weight: 520.53 g/mol
• Exact Mass: 520.14
• IUPAC Name: 2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
• SMILES: Cc1[nH]nc2cc(OCCNCC(O)c3cccc(NS(=O)(=O)c4cc(F)c(F)cc4F)c3)ccc12
• InChI: InChI=1S/C24H23F3N4O4S/c1-14-18-6-5-17(10-22(18)30-29-14)35-8-7-28-13-23(32)15-3-2-4-16(9-15)31-36(33,34)24-12-20(26)19(25)11-21(24)27/h2-6,9-12,23,28,31-32H,7-8,13H2,1H3,(H,29,30)
• InChIKey: GLFHAJRTHDDZMX-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 116.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.53
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide?

The IUPAC name of 2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide (CID 70656863) is 2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide.

What is the SMILES notation for 2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide?

The canonical SMILES for 2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide is Cc1[nH]nc2cc(OCCNCC(O)c3cccc(NS(=O)(=O)c4cc(F)c(F)cc4F)c3)ccc12.

What is the InChIKey of 2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide?

The InChIKey is GLFHAJRTHDDZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4S/c1-14-18-6-5-17(10-22(18)30-29-14)35-8-7-28-13-23(32)15-3-2-4-16(9-15)31-36(33,34)24-12-20(26)19(25)11-21(24)27/h2-6,9-12,23,28,31-32H,7-8,13H2,1H3,(H,29,30).

What are the key properties of 2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide?

2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide has a molecular weight of 520.53 g/mol, XLogP of 3.79, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 70656863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).