2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium

C9H12ClN2O2RuSY — CID 144771535

IUPAC2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium
SMILESCc1ccc(S(=O)(=O)[N-]CC[NH-])cc1.Cl[Ru+2].[Y]
InChIInChI=1S/C9H12N2O2S.ClH.Ru.Y/c1-8-2-4-9(5-3-8)14(12,13)11-7-6-10;;;/h2-5,10H,6-7H2,1H3;1H;;/q-2;;+3;/p-1
InChIKeyVSFVVEKTQXKFBN-UHFFFAOYSA-M
MW437.70 g/mol
LogP2.79
Rot. Bonds4

About 2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium

2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium (PubChem CID 144771535) has the molecular formula C9H12ClN2O2RuSY and a molecular weight of 437.70 g/mol. Its IUPAC name is 2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium.

Molecular Properties

Compound Name2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium
PubChem CID144771535
Molecular FormulaC9H12ClN2O2RuSY
Molecular Weight437.70 g/mol
Exact Mass437.84
IUPAC Name2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium
SMILESCc1ccc(S(=O)(=O)[N-]CC[NH-])cc1.Cl[Ru+2].[Y]
InChIInChI=1S/C9H12N2O2S.ClH.Ru.Y/c1-8-2-4-9(5-3-8)14(12,13)11-7-6-10;;;/h2-5,10H,6-7H2,1H3;1H;;/q-2;;+3;/p-1
InChIKeyVSFVVEKTQXKFBN-UHFFFAOYSA-M
XLogP2.79
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.70
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium?
The IUPAC name of 2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium (CID 144771535) is 2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium.
What is the SMILES notation for 2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium?
The canonical SMILES for 2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium is Cc1ccc(S(=O)(=O)[N-]CC[NH-])cc1.Cl[Ru+2].[Y].
What is the InChIKey of 2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium?
The InChIKey is VSFVVEKTQXKFBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N2O2S.ClH.Ru.Y/c1-8-2-4-9(5-3-8)14(12,13)11-7-6-10;;;/h2-5,10H,6-7H2,1H3;1H;;/q-2;;+3;/p-1.
What are the key properties of 2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium?
2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium has a molecular weight of 437.70 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium is sourced from PubChem (CID 144771535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).