gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine

C32H28AuN3O4S2 — CID 54679765

IUPACgold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine
SMILESCc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1.[Au+3].[c-]1ccccc1Cc1ccccn1
InChIInChI=1S/C20H18N2O4S2.C12H10N.Au/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;/h3-14H,1-2H3;1-6,8-9H,10H2;/q-2;-1;+3
InChIKeyVATKWGVLMZDGAR-UHFFFAOYSA-N
MW779.69 g/mol
LogP7.56
Rot. Bonds8

About gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine

gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine (PubChem CID 54679765) has the molecular formula C32H28AuN3O4S2 and a molecular weight of 779.69 g/mol. Its IUPAC name is gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine.

Molecular Properties

Compound Namegold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine
PubChem CID54679765
Molecular FormulaC32H28AuN3O4S2
Molecular Weight779.69 g/mol
Exact Mass779.12
IUPAC Namegold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine
SMILESCc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1.[Au+3].[c-]1ccccc1Cc1ccccn1
InChIInChI=1S/C20H18N2O4S2.C12H10N.Au/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;/h3-14H,1-2H3;1-6,8-9H,10H2;/q-2;-1;+3
InChIKeyVATKWGVLMZDGAR-UHFFFAOYSA-N
XLogP7.56
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.69
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 58843926
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CID 138966805
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4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639
chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine
CID 139242717
1-methyl-3-(phenylmethyl)benzene-4-ide;yttrium
CID 58734111
CID 58107055
CID 58107055
tris(dichloromethane);bis(dipyridin-2-ylazanide);bis((4-methylphenyl)sulfonyl-[6-(4-methylphenyl)sulfonylazanidyl-2-pyridinyl]azanide);bis(nickel(2+));nickel(3+);tetrafluoroborate
CID 139152974
N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 22584011

Frequently Asked Questions

What is the IUPAC name of gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine?
The IUPAC name of gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine (CID 54679765) is gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine.
What is the SMILES notation for gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine?
The canonical SMILES for gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine is Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1.[Au+3].[c-]1ccccc1Cc1ccccn1.
What is the InChIKey of gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine?
The InChIKey is VATKWGVLMZDGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S2.C12H10N.Au/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;/h3-14H,1-2H3;1-6,8-9H,10H2;/q-2;-1;+3.
What are the key properties of gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine?
gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine has a molecular weight of 779.69 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine is sourced from PubChem (CID 54679765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).