2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide

C24H29BrN2O3S — CID 67058885

About 2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide

2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide (PubChem CID 67058885) has the molecular formula C24H29BrN2O3S and a molecular weight of 505.48 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide
• PubChem CID: 67058885
• Molecular Formula: C24H29BrN2O3S
• Molecular Weight: 505.48 g/mol
• Exact Mass: 504.11
• IUPAC Name: 2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide
• SMILES: CN(C[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1Br
• InChI: InChI=1S/C24H29BrN2O3S/c1-24(2,15-18-12-13-19-8-4-5-9-20(19)14-18)26-16-21(28)17-27(3)31(29,30)23-11-7-6-10-22(23)25/h4-14,21,26,28H,15-17H2,1-3H3/t21-/m1/s1
• InChIKey: JZHWJRKXTQLXOV-OAQYLSRUSA-N
• XLogP: 4.19
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.48
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide?

The IUPAC name of 2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide (CID 67058885) is 2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide.

What is the SMILES notation for 2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide?

The canonical SMILES for 2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide is CN(C[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1Br.

What is the InChIKey of 2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide?

The InChIKey is JZHWJRKXTQLXOV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29BrN2O3S/c1-24(2,15-18-12-13-19-8-4-5-9-20(19)14-18)26-16-21(28)17-27(3)31(29,30)23-11-7-6-10-22(23)25/h4-14,21,26,28H,15-17H2,1-3H3/t21-/m1/s1.

What are the key properties of 2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide?

2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide has a molecular weight of 505.48 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 67058885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).