5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide

C24H33BrN2O4S — CID 59162768

About 5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide

5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 59162768) has the molecular formula C24H33BrN2O4S and a molecular weight of 525.51 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide
• PubChem CID: 59162768
• Molecular Formula: C24H33BrN2O4S
• Molecular Weight: 525.51 g/mol
• Exact Mass: 524.13
• IUPAC Name: 5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide
• SMILES: COc1ccc(Br)cc1S(=O)(=O)N(C)C[C@H](O)CNC(C)(C)CC1Cc2ccccc2C1
• InChI: InChI=1S/C24H33BrN2O4S/c1-24(2,14-17-11-18-7-5-6-8-19(18)12-17)26-15-21(28)16-27(3)32(29,30)23-13-20(25)9-10-22(23)31-4/h5-10,13,17,21,26,28H,11-12,14-16H2,1-4H3/t21-/m1/s1
• InChIKey: XJOSEMWFKSHLAM-OAQYLSRUSA-N
• XLogP: 3.61
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.51
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide?

The IUPAC name of 5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide (CID 59162768) is 5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide.

What is the SMILES notation for 5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide?

The canonical SMILES for 5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)N(C)C[C@H](O)CNC(C)(C)CC1Cc2ccccc2C1.

What is the InChIKey of 5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide?

The InChIKey is XJOSEMWFKSHLAM-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H33BrN2O4S/c1-24(2,14-17-11-18-7-5-6-8-19(18)12-17)26-15-21(28)16-27(3)32(29,30)23-13-20(25)9-10-22(23)31-4/h5-10,13,17,21,26,28H,11-12,14-16H2,1-4H3/t21-/m1/s1.

What are the key properties of 5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide?

5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 525.51 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 59162768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).