N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide

C23H22Cl2N4O4S — CID 59370727

About N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide

N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide (PubChem CID 59370727) has the molecular formula C23H22Cl2N4O4S and a molecular weight of 521.43 g/mol. Its IUPAC name is N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide
• PubChem CID: 59370727
• Molecular Formula: C23H22Cl2N4O4S
• Molecular Weight: 521.43 g/mol
• Exact Mass: 520.07
• IUPAC Name: N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide
• SMILES: O=S(=O)(Nc1cc([C@@H](O)CNCCOc2ccc3c(Cl)[nH]nc3c2)ccc1Cl)c1ccccc1
• InChI: InChI=1S/C23H22Cl2N4O4S/c24-19-9-6-15(12-21(19)29-34(31,32)17-4-2-1-3-5-17)22(30)14-26-10-11-33-16-7-8-18-20(13-16)27-28-23(18)25/h1-9,12-13,22,26,29-30H,10-11,14H2,(H,27,28)/t22-/m0/s1
• InChIKey: SJVFJUZUQDZMKW-QFIPXVFZSA-N
• XLogP: 4.37
• TPSA: 116.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.43
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide?

The IUPAC name of N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide (CID 59370727) is N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide.

What is the SMILES notation for N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide?

The canonical SMILES for N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cc([C@@H](O)CNCCOc2ccc3c(Cl)[nH]nc3c2)ccc1Cl)c1ccccc1.

What is the InChIKey of N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide?

The InChIKey is SJVFJUZUQDZMKW-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22Cl2N4O4S/c24-19-9-6-15(12-21(19)29-34(31,32)17-4-2-1-3-5-17)22(30)14-26-10-11-33-16-7-8-18-20(13-16)27-28-23(18)25/h1-9,12-13,22,26,29-30H,10-11,14H2,(H,27,28)/t22-/m0/s1.

What are the key properties of N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide?

N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide has a molecular weight of 521.43 g/mol, XLogP of 4.37, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 59370727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).