[(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+)

C24H28ClN2O3RhS — CID 163581638

About [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+)

[(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+) (PubChem CID 163581638) has the molecular formula C24H28ClN2O3RhS and a molecular weight of 562.93 g/mol. Its IUPAC name is [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+).

Molecular Properties

• Compound Name: [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+)
• PubChem CID: 163581638
• Molecular Formula: C24H28ClN2O3RhS
• Molecular Weight: 562.93 g/mol
• Exact Mass: 562.06
• IUPAC Name: [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+)
• SMILES: CC1(C)CCC2CC(=O)C21CS(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]([NH-])c1ccccc1.Cl[Rh+2]
• InChI: InChI=1S/C24H28N2O3S.ClH.Rh/c1-23(2)14-13-19-15-20(27)24(19,23)16-30(28,29)26-22(18-11-7-4-8-12-18)21(25)17-9-5-3-6-10-17;;/h3-12,19,21-22,25H,13-16H2,1-2H3;1H;/q-2;;+3/p-1/t19?,21-,22-,24?;;/m0../s1
• InChIKey: GIAFRBPCUJBMSJ-SHICVUKGSA-M
• XLogP: 6.31
• TPSA: 89.11 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.93
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+)?

The IUPAC name of [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+) (CID 163581638) is [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+).

What is the SMILES notation for [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+)?

The canonical SMILES for [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+) is CC1(C)CCC2CC(=O)C21CS(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]([NH-])c1ccccc1.Cl[Rh+2].

What is the InChIKey of [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+)?

The InChIKey is GIAFRBPCUJBMSJ-SHICVUKGSA-M. The full InChI is InChI=1S/C24H28N2O3S.ClH.Rh/c1-23(2)14-13-19-15-20(27)24(19,23)16-30(28,29)26-22(18-11-7-4-8-12-18)21(25)17-9-5-3-6-10-17;;/h3-12,19,21-22,25H,13-16H2,1-2H3;1H;/q-2;;+3/p-1/t19?,21-,22-,24?;;/m0../s1.

What are the key properties of [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+)?

[(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+) has a molecular weight of 562.93 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+) is sourced from PubChem (CID 163581638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).