[(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)

C24H27ClN2O2RuS — CID 170545426

IUPAC[(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
SMILESCc1cc(C)c(S(=O)(=O)[N-]C(c2ccccc2)[C@@H]([NH-])c2ccccc2)c(C)c1.Cl[Ru+3].[CH3-]
InChIInChI=1S/C23H24N2O2S.CH3.ClH.Ru/c1-16-14-17(2)23(18(3)15-16)28(26,27)25-22(20-12-8-5-9-13-20)21(24)19-10-6-4-7-11-19;;;/h4-15,21-22,24H,1-3H3;1H3;1H;/q-2;-1;;+4/p-1/t21-,22?;;;/m0.../s1
InChIKeyCSGAVMJJAXEVJZ-FRXHHECKSA-M
MW544.08 g/mol
LogP7.35
Rot. Bonds6

About [(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)

[(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+) (PubChem CID 170545426) has the molecular formula C24H27ClN2O2RuS and a molecular weight of 544.08 g/mol. Its IUPAC name is [(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+).

Molecular Properties

Compound Name[(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
PubChem CID170545426
Molecular FormulaC24H27ClN2O2RuS
Molecular Weight544.08 g/mol
Exact Mass544.05
IUPAC Name[(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
SMILESCc1cc(C)c(S(=O)(=O)[N-]C(c2ccccc2)[C@@H]([NH-])c2ccccc2)c(C)c1.Cl[Ru+3].[CH3-]
InChIInChI=1S/C23H24N2O2S.CH3.ClH.Ru/c1-16-14-17(2)23(18(3)15-16)28(26,27)25-22(20-12-8-5-9-13-20)21(24)19-10-6-4-7-11-19;;;/h4-15,21-22,24H,1-3H3;1H3;1H;/q-2;-1;;+4/p-1/t21-,22?;;;/m0.../s1
InChIKeyCSGAVMJJAXEVJZ-FRXHHECKSA-M
XLogP7.35
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.08
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(2-azanidyl-1,2-diphenylethyl)-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537294
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)
CID 11157905
argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene
CID 159955748
(2-azanidyl-1,2-diphenylethyl)-[[3,5-di(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537399
CID 24808888
CID 24808888
(2-azanidyl-1,2-diphenylethyl)-[(2,6-difluorophenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537521
CID 24853985
CID 24853985
(2-azanidyl-1,2-diphenylethyl)-[(3-tert-butylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537316
(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537461
(2-azanidyl-1,2-diphenylethyl)-[[2,6-di(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537641
(2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537286
(2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841387

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)?
The IUPAC name of [(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+) (CID 170545426) is [(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+).
What is the SMILES notation for [(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)?
The canonical SMILES for [(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+) is Cc1cc(C)c(S(=O)(=O)[N-]C(c2ccccc2)[C@@H]([NH-])c2ccccc2)c(C)c1.Cl[Ru+3].[CH3-].
What is the InChIKey of [(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)?
The InChIKey is CSGAVMJJAXEVJZ-FRXHHECKSA-M. The full InChI is InChI=1S/C23H24N2O2S.CH3.ClH.Ru/c1-16-14-17(2)23(18(3)15-16)28(26,27)25-22(20-12-8-5-9-13-20)21(24)19-10-6-4-7-11-19;;;/h4-15,21-22,24H,1-3H3;1H3;1H;/q-2;-1;;+4/p-1/t21-,22?;;;/m0.../s1.
What are the key properties of [(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)?
[(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+) has a molecular weight of 544.08 g/mol, XLogP of 7.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+) is sourced from PubChem (CID 170545426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).