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

C23H25ClN2O3RuS — CID 59537286

IUPAC(2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
SMILESCOc1ccc(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cl[Ru+3].[CH3-]
InChIInChI=1S/C22H22N2O3S.CH3.ClH.Ru/c1-27-20-14-12-17(13-15-20)16-28(25,26)24-22(19-10-6-3-7-11-19)21(23)18-8-4-2-5-9-18;;;/h2-15,21-23H,16H2,1H3;1H3;1H;/q-2;-1;;+4/p-1
InChIKeyZFNJSXABBFKPRJ-UHFFFAOYSA-M
MW546.05 g/mol
LogP6.57
Rot. Bonds8

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

(2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) (PubChem CID 59537286) has the molecular formula C23H25ClN2O3RuS and a molecular weight of 546.05 g/mol. Its IUPAC name is (2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+).

Molecular Properties

Compound Name(2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
PubChem CID59537286
Molecular FormulaC23H25ClN2O3RuS
Molecular Weight546.05 g/mol
Exact Mass546.03
IUPAC Name(2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
SMILESCOc1ccc(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cl[Ru+3].[CH3-]
InChIInChI=1S/C22H22N2O3S.CH3.ClH.Ru/c1-27-20-14-12-17(13-15-20)16-28(25,26)24-22(19-10-6-3-7-11-19)21(23)18-8-4-2-5-9-18;;;/h2-15,21-23H,16H2,1H3;1H3;1H;/q-2;-1;;+4/p-1
InChIKeyZFNJSXABBFKPRJ-UHFFFAOYSA-M
XLogP6.57
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.05
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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)-[(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
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1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 51249152
5-[(4-methoxyphenyl)methylsulfonyl]furan-2-carboxylic acid
CID 63941435
(2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol
CID 1474364
1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene
CID 101481324
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905

Frequently Asked Questions

What is the IUPAC name of (2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)?
The IUPAC name of (2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) (CID 59537286) is (2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+).
What is the SMILES notation for (2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)?
The canonical SMILES for (2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) is COc1ccc(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cl[Ru+3].[CH3-].
What is the InChIKey of (2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)?
The InChIKey is ZFNJSXABBFKPRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H22N2O3S.CH3.ClH.Ru/c1-27-20-14-12-17(13-15-20)16-28(25,26)24-22(19-10-6-3-7-11-19)21(23)18-8-4-2-5-9-18;;;/h2-15,21-23H,16H2,1H3;1H3;1H;/q-2;-1;;+4/p-1.
What are the key properties of (2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)?
(2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) has a molecular weight of 546.05 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) is sourced from PubChem (CID 59537286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).