N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide

C24H24F3N3O5S — CID 70036050

About N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide

N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 70036050) has the molecular formula C24H24F3N3O5S and a molecular weight of 523.53 g/mol. Its IUPAC name is N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide
• PubChem CID: 70036050
• Molecular Formula: C24H24F3N3O5S
• Molecular Weight: 523.53 g/mol
• Exact Mass: 523.14
• IUPAC Name: N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide
• SMILES: CS(=O)(=O)Nc1cc([C@H](O)CNCCOc2ccc3c(c2)[nH]c2cc(C(F)(F)F)ccc23)ccc1O
• InChI: InChI=1S/C24H24F3N3O5S/c1-36(33,34)30-21-10-14(2-7-22(21)31)23(32)13-28-8-9-35-16-4-6-18-17-5-3-15(24(25,26)27)11-19(17)29-20(18)12-16/h2-7,10-12,23,28-32H,8-9,13H2,1H3/t23-/m1/s1
• InChIKey: XJAHCARILUSQHX-HSZRJFAPSA-N
• XLogP: 4.12
• TPSA: 123.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.53
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide?

The IUPAC name of N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide (CID 70036050) is N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide?

The canonical SMILES for N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc([C@H](O)CNCCOc2ccc3c(c2)[nH]c2cc(C(F)(F)F)ccc23)ccc1O.

What is the InChIKey of N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide?

The InChIKey is XJAHCARILUSQHX-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24F3N3O5S/c1-36(33,34)30-21-10-14(2-7-22(21)31)23(32)13-28-8-9-35-16-4-6-18-17-5-3-15(24(25,26)27)11-19(17)29-20(18)12-16/h2-7,10-12,23,28-32H,8-9,13H2,1H3/t23-/m1/s1.

What are the key properties of N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide?

N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 523.53 g/mol, XLogP of 4.12, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[2-[[7-(trifluoromethyl)-9H-carbazol-2-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 70036050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).