[1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride

C30H31ClN2O2RuS — CID 78151937

IUPAC[1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride
SMILESCc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C(NCCCc2ccccc2)c2ccccc2)cc1.[Cl-].[Ru+2]
InChIInChI=1S/C30H31N2O2S.ClH.Ru/c1-24-19-21-28(22-20-24)35(33,34)32-30(27-17-9-4-10-18-27)29(26-15-7-3-8-16-26)31-23-11-14-25-12-5-2-6-13-25;;/h2-10,12-13,15-22,29-31H,11,14,23H2,1H3;1H;/q-1;;+2/p-1
InChIKeyMDABGVLQRDDWLY-UHFFFAOYSA-M
MW620.18 g/mol
LogP3.76
Rot. Bonds11

About [1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride

[1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride (PubChem CID 78151937) has the molecular formula C30H31ClN2O2RuS and a molecular weight of 620.18 g/mol. Its IUPAC name is [1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride.

Molecular Properties

Compound Name[1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride
PubChem CID78151937
Molecular FormulaC30H31ClN2O2RuS
Molecular Weight620.18 g/mol
Exact Mass620.08
IUPAC Name[1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride
SMILESCc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C(NCCCc2ccccc2)c2ccccc2)cc1.[Cl-].[Ru+2]
InChIInChI=1S/C30H31N2O2S.ClH.Ru/c1-24-19-21-28(22-20-24)35(33,34)32-30(27-17-9-4-10-18-27)29(26-15-7-3-8-16-26)31-23-11-14-25-12-5-2-6-13-25;;/h2-10,12-13,15-22,29-31H,11,14,23H2,1H3;1H;/q-1;;+2/p-1
InChIKeyMDABGVLQRDDWLY-UHFFFAOYSA-M
XLogP3.76
TPSA60.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide
CID 117065244
chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide
CID 171371308
chlororuthenium(1+);[2-(3-cyclohexylpropylamino)-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide
CID 172764505
carbanide;[(1R,2R)-2-(3-cyclohexa-2,4-dien-1-ylpropylamino)-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(4+)
CID 58249161
(4-methylphenyl)sulfonyl-[(1S,2S)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide;ruthenium(2+);1,3,5-trimethylbenzene
CID 11061623
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)
CID 11157905
N-[(1R,2R)-2-[3-(4-methoxyphenyl)propylamino]-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 102106512
(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841386
carbanide;chlororuthenium(3+);[2-[2-(cyclohexa-1,3-dien-1-ylmethoxy)ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide
CID 153496191
N-[(1R,2R)-2-[3-(3,5-dimethoxyphenyl)propylamino]-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 90152510
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;pyridine;ruthenium(2+)
CID 164887101
N-[(1R,2S)-2-[3-(4-hex-5-ynoxyphenyl)propylamino]-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 118434134

Frequently Asked Questions

What is the IUPAC name of [1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride?
The IUPAC name of [1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride (CID 78151937) is [1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride.
What is the SMILES notation for [1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride?
The canonical SMILES for [1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride is Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C(NCCCc2ccccc2)c2ccccc2)cc1.[Cl-].[Ru+2].
What is the InChIKey of [1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride?
The InChIKey is MDABGVLQRDDWLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H31N2O2S.ClH.Ru/c1-24-19-21-28(22-20-24)35(33,34)32-30(27-17-9-4-10-18-27)29(26-15-7-3-8-16-26)31-23-11-14-25-12-5-2-6-13-25;;/h2-10,12-13,15-22,29-31H,11,14,23H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of [1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride?
[1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride has a molecular weight of 620.18 g/mol, XLogP of 3.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride is sourced from PubChem (CID 78151937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).