(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)

C26H31ClN2O2RuS — CID 59537461

IUPAC(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
SMILESCCc1ccc(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)c(CC)c1.Cl[Ru+3].[CH3-]
InChIInChI=1S/C25H28N2O2S.CH3.ClH.Ru/c1-3-19-15-16-23(20(4-2)17-19)18-30(28,29)27-25(22-13-9-6-10-14-22)24(26)21-11-7-5-8-12-21;;;/h5-17,24-26H,3-4,18H2,1-2H3;1H3;1H;/q-2;-1;;+4/p-1
InChIKeyLWBLFDPKVMQMBC-UHFFFAOYSA-M
MW572.14 g/mol
LogP7.69
Rot. Bonds9

About (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)

(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) (PubChem CID 59537461) has the molecular formula C26H31ClN2O2RuS and a molecular weight of 572.14 g/mol. Its IUPAC name is (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+).

Molecular Properties

Compound Name(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
PubChem CID59537461
Molecular FormulaC26H31ClN2O2RuS
Molecular Weight572.14 g/mol
Exact Mass572.08
IUPAC Name(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
SMILESCCc1ccc(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)c(CC)c1.Cl[Ru+3].[CH3-]
InChIInChI=1S/C25H28N2O2S.CH3.ClH.Ru/c1-3-19-15-16-23(20(4-2)17-19)18-30(28,29)27-25(22-13-9-6-10-14-22)24(26)21-11-7-5-8-12-21;;;/h5-17,24-26H,3-4,18H2,1-2H3;1H3;1H;/q-2;-1;;+4/p-1
InChIKeyLWBLFDPKVMQMBC-UHFFFAOYSA-M
XLogP7.69
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.14
LogP ≤ 57.69
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)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene)
CID 159266411
(2-azanidyl-1,2-diphenylethyl)-[[3,5-di(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537399
(2-azanidyl-1,2-diphenylethyl)-[(3-tert-butylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537316
(2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537286
(2-azanidyl-1,2-diphenylethyl)-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537294
(2-azanidyl-1,2-diphenylethyl)-[[2,6-di(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537641
(2-azanidyl-1,2-diphenylethyl)-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537741
(2-azanidyl-1,2-diphenylethyl)-[(2,6-difluorophenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537521
[(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
CID 170545426
(2-azanidyl-1,2-diphenylethyl)-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-tert-butylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3-tert-butylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(4-tert-butylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[[2,6-di(propan-2-yl)phenyl]methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[[2,4,6-tri(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;hexakis(chlororuthenium(3+));hexakis(1-methyl-4-propan-2-ylbenzene)
CID 160830516
(2-azanidyl-1,2-diphenylethyl)-[(3-fluorophenyl)methylsulfonyl]azanide;chlororuthenium(3+);1,3,5,7-tetramethylcyclohepta-1,3,5-triene
CID 163962122
CID 24808888
CID 24808888

Frequently Asked Questions

What is the IUPAC name of (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)?
The IUPAC name of (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) (CID 59537461) is (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+).
What is the SMILES notation for (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)?
The canonical SMILES for (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) is CCc1ccc(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)c(CC)c1.Cl[Ru+3].[CH3-].
What is the InChIKey of (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)?
The InChIKey is LWBLFDPKVMQMBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H28N2O2S.CH3.ClH.Ru/c1-3-19-15-16-23(20(4-2)17-19)18-30(28,29)27-25(22-13-9-6-10-14-22)24(26)21-11-7-5-8-12-21;;;/h5-17,24-26H,3-4,18H2,1-2H3;1H3;1H;/q-2;-1;;+4/p-1.
What are the key properties of (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)?
(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) has a molecular weight of 572.14 g/mol, XLogP of 7.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) is sourced from PubChem (CID 59537461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).