3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide

C24H25ClN4O5S — CID 51347133

About 3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide

3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide (PubChem CID 51347133) has the molecular formula C24H25ClN4O5S and a molecular weight of 517.01 g/mol. Its IUPAC name is 3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
• PubChem CID: 51347133
• Molecular Formula: C24H25ClN4O5S
• Molecular Weight: 517.01 g/mol
• Exact Mass: 516.12
• IUPAC Name: 3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
• SMILES: COc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(Cl)c4)c3)ccc12
• InChI: InChI=1S/C24H25ClN4O5S/c1-33-24-21-9-8-19(14-22(21)27-28-24)34-11-10-26-15-23(30)16-4-2-6-18(12-16)29-35(31,32)20-7-3-5-17(25)13-20/h2-9,12-14,23,26,29-30H,10-11,15H2,1H3,(H,27,28)/t23-/m0/s1
• InChIKey: OBZVUTMHDVOAJB-QHCPKHFHSA-N
• XLogP: 3.73
• TPSA: 125.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.01
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide?

The IUPAC name of 3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide (CID 51347133) is 3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide.

What is the SMILES notation for 3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide?

The canonical SMILES for 3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide is COc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(Cl)c4)c3)ccc12.

What is the InChIKey of 3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide?

The InChIKey is OBZVUTMHDVOAJB-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25ClN4O5S/c1-33-24-21-9-8-19(14-22(21)27-28-24)34-11-10-26-15-23(30)16-4-2-6-18(12-16)29-35(31,32)20-7-3-5-17(25)13-20/h2-9,12-14,23,26,29-30H,10-11,15H2,1H3,(H,27,28)/t23-/m0/s1.

What are the key properties of 3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide?

3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide has a molecular weight of 517.01 g/mol, XLogP of 3.73, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 51347133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).